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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:02:40 UTC

Update Date

2022-03-07 02:53:40 UTC

HMDB ID

HMDB0033329

Secondary Accession Numbers

HMDB33329

Metabolite Identification

Common Name

Coriandrin

Description

Coriandrin belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Coriandrin has been detected, but not quantified in, corianders (Coriandrum sativum) and herbs and spices. This could make coriandrin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Coriandrin.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061307032D          

 17 19  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -0.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  7  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033329

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2

> <INCHI_IDENTIFIER>
InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3

> <INCHI_KEY>
BUZQIMYNOWPYHH-UHFFFAOYSA-N

> <FORMULA>
C13H10O4

> <MOLECULAR_WEIGHT>
230.2161

> <EXACT_MASS>
230.057908808

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
23.075842381855132

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-methoxy-7-methyl-5H-furo[2,3-g]isochromen-5-one

> <ALOGPS_LOGP>
2.30

> <JCHEM_LOGP>
2.2569151763333326

> <ALOGPS_LOGS>
-3.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0108246437980934

> <JCHEM_POLAR_SURFACE_AREA>
48.67

> <JCHEM_REFRACTIVITY>
62.60940000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methoxy-7-methylfuro[2,3-g]isochromen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.133  -2.786   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.038  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       8.133  -0.294   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2   15                                                            
CONECT    3    4    9                                                       
CONECT    4    3   16                                                       
CONECT    5    7    8                                                       
CONECT    6    8   10                                                       
CONECT    7    1    5   17                                                  
CONECT    8    5    6   11                                                  
CONECT    9    3   10   12                                                  
CONECT   10    6    9   16                                                  
CONECT   11    8   12   13                                                  
CONECT   12    9   11   15                                                  
CONECT   13   11   14   17                                                  
CONECT   14   13                                                            
CONECT   15    2   12                                                       
CONECT   16    4   10                                                       
CONECT   17    7   13                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END

COMPND    HMDB0033329
HETATM    1  C1  UNL     1      -2.262  -2.490   0.518  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.742  -1.376   1.165  1.00  0.00           O  
HETATM    3  C2  UNL     1      -1.112  -0.306   0.546  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.859   0.776   0.131  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.204   1.077   0.189  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.405   2.315  -0.385  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.225   2.730  -0.769  1.00  0.00           O  
HETATM    8  C6  UNL     1      -1.286   1.878  -0.496  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.096   1.865  -0.701  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.872   0.798  -0.298  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.239   0.740  -0.479  1.00  0.00           C  
HETATM   12  C10 UNL     1       2.992  -0.341  -0.066  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.480  -0.382  -0.273  1.00  0.00           C  
HETATM   14  O3  UNL     1       2.347  -1.325   0.515  1.00  0.00           O  
HETATM   15  C12 UNL     1       1.050  -1.329   0.715  1.00  0.00           C  
HETATM   16  O4  UNL     1       0.457  -2.298   1.280  1.00  0.00           O  
HETATM   17  C13 UNL     1       0.253  -0.275   0.322  1.00  0.00           C  
HETATM   18  H1  UNL     1      -2.221  -3.350   1.246  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.317  -2.342   0.165  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.682  -2.809  -0.379  1.00  0.00           H  
HETATM   21  H4  UNL     1      -4.012   0.489   0.601  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.323   2.837  -0.500  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.597   2.697  -1.185  1.00  0.00           H  
HETATM   24  H7  UNL     1       2.746   1.575  -0.966  1.00  0.00           H  
HETATM   25  H8  UNL     1       4.742  -1.360  -0.701  1.00  0.00           H  
HETATM   26  H9  UNL     1       4.758   0.478  -0.889  1.00  0.00           H  
HETATM   27  H10 UNL     1       5.022  -0.271   0.696  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5    8
CONECT    5    6    6   21
CONECT    6    7   22
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   23
CONECT   10   11   17   17
CONECT   11   12   12   24
CONECT   12   13   14
CONECT   13   25   26   27
CONECT   14   15
CONECT   15   16   16   17
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
4-Methoxy-7-methyl-5H-furo(2,3-g)(2)benzopyran-5-one	HMDB
4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-one	HMDB
4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9ci	HMDB
Coriandrin	MeSH

Chemical Formula

C₁₃H₁₀O₄

Average Molecular Weight

230.2161

Monoisotopic Molecular Weight

230.057908808

IUPAC Name

4-methoxy-7-methyl-5H-furo[2,3-g]isochromen-5-one

Traditional Name

4-methoxy-7-methylfuro[2,3-g]isochromen-5-one

CAS Registry Number

116408-80-1

SMILES

COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2

InChI Identifier

InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3

InChI Key

BUZQIMYNOWPYHH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isocoumarins and derivatives

Sub Class

Not Available

Direct Parent

Isocoumarins and derivatives

Alternative Parents

Substituents

Isocoumarin
Benzopyran
2-benzopyran
Benzofuran
Anisole
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Furan
Vinylogous ester
Lactone
Oxacycle
Ether
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033329)
Cytoplasm (HMDB: HMDB0033329)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033329)

Source

Exogenous

Exogenous (HMDB: HMDB0033329)

Food

Food (HMDB: HMDB0033329)

Herb and spice

Herb

Coriander (FooDB: FOOD00061)

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0033329)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Antimicrobial agent

Antiviral

Antiviral (HMDB: HMDB0033329)

Biological role

Nutrient (HMDB: HMDB0033329)

Modulator

Inhibitor

Cytochrome-P450 inhibitor (HMDB: HMDB0033329)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	142 - 143 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	96.4 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.14 g/L	ALOGPS
logP	2.3	ALOGPS
logP	2.26	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	48.67 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	62.61 m³·mol⁻¹	ChemAxon
Polarizability	23.08 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	150.903	31661259
DarkChem	[M-H]-	152.93	31661259
DeepCCS	[M+H]+	150.731	30932474
DeepCCS	[M-H]-	148.336	30932474
DeepCCS	[M-2H]-	181.465	30932474
DeepCCS	[M+Na]+	156.744	30932474
AllCCS	[M+H]+	148.2	32859911
AllCCS	[M+H-H2O]+	143.9	32859911
AllCCS	[M+NH4]+	152.1	32859911
AllCCS	[M+Na]+	153.3	32859911
AllCCS	[M-H]-	151.6	32859911
AllCCS	[M+Na-2H]-	151.0	32859911
AllCCS	[M+HCOO]-	150.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	6.3 minutes	32390414
Predicted by Siyang on May 30, 2022	12.4214 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	0.92 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	29.7 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	1521.9 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	407.8 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	162.7 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	228.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	101.2 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	384.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	458.4 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	96.3 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	998.1 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	397.5 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1306.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	334.6 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	299.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	380.4 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	356.1 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	26.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Coriandrin	COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2	2989.6	Standard polar	33892256
Coriandrin	COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2	2091.4	Standard non polar	33892256
Coriandrin	COC1=C2C(=O)OC(C)=CC2=CC2=C1C=CO2	2128.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Coriandrin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0wni-0690000000-a61192cb45c4d52bcb50	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Coriandrin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 10V, Positive-QTOF	splash10-001i-0090000000-144a83b2ddc603cdd5d9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 20V, Positive-QTOF	splash10-001i-0090000000-f2c8d34c51f58a54f55b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 40V, Positive-QTOF	splash10-0540-0930000000-7b3f4ff100e6b3273b06	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 10V, Negative-QTOF	splash10-004i-0290000000-469528402b73a8fe2d57	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 20V, Negative-QTOF	splash10-004i-0290000000-081d885c085040cd8854	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 40V, Negative-QTOF	splash10-052r-0900000000-0189d6dbc2ab545cbe40	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 10V, Negative-QTOF	splash10-004i-0090000000-b29cad5020b201a2ccb8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 20V, Negative-QTOF	splash10-004i-0090000000-b29cad5020b201a2ccb8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 40V, Negative-QTOF	splash10-002k-0940000000-f61f040b972bf3877180	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 10V, Positive-QTOF	splash10-001i-0090000000-e24c4d11d47d7c4f6870	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 20V, Positive-QTOF	splash10-001i-0090000000-0541954602ef16e0aecf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Coriandrin 40V, Positive-QTOF	splash10-001i-1490000000-ad084bb0245da690deeb	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011356

KNApSAcK ID

C00054278

Chemspider ID

106782

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

119586

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1834861

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Hudson JB, Graham EA, Harris L, Ashwood-Smith MJ: The unusual UVA-dependent antiviral properties of the furoisocoumarin, coriandrin. Photochem Photobiol. 1993 Mar;57(3):491-6. [PubMed:8475184 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Coriandrin (HMDB0033329)

MOL for HMDB0033329 (Coriandrin)

3D MOL for HMDB0033329 (Coriandrin)

3D SDF for HMDB0033329 (Coriandrin)

3D-SDF for HMDB0033329 (Coriandrin)

PDB for HMDB0033329 (Coriandrin)

3D PDB for HMDB0033329 (Coriandrin)

SMILES for HMDB0033329 (Coriandrin)

INCHI for HMDB0033329 (Coriandrin)

Structure for HMDB0033329 (Coriandrin)

3D Structure for HMDB0033329 (Coriandrin)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra