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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:00:20 UTC
Update Date2021-09-14 15:16:34 UTC
HMDB IDHMDB0013884
Secondary Accession Numbers
  • HMDB13884
Metabolite Identification
Common NameR-10-Hydroxywarfarin
DescriptionR-10-Hydroxywarfarin belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position. Based on a literature review very few articles have been published on R-10-Hydroxywarfarin.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC19H16O5
Average Molecular Weight324.3273
Monoisotopic Molecular Weight324.099773622
IUPAC Name2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one
Traditional Name2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]chromen-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O
InChI Identifier
InChI=1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21,23H,1H3/t15-,17?/m1/s1
InChI KeyKLDFTXZRAPVGLB-LDCVWXEPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassHomoisoflavonoids
Sub ClassHomoisoflavones
Direct ParentHomoisoflavones
Alternative Parents
Substituents
  • Homoisoflavone
  • Chromone
  • Coumarin
  • Benzopyran
  • 1-benzopyran
  • Pyranone
  • Acyloin
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Alpha-hydroxy ketone
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Oxacycle
  • Organoheterocyclic compound
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093389
KNApSAcK IDNot Available
Chemspider ID35032776
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
R-10-Hydroxywarfarin → {[(1R)-1-(2-hydroxy-4-oxo-4H-chromen-3-yl)-3-oxo-1-phenylbutan-2-yl]oxy}sulfonic aciddetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
R-10-Hydroxywarfarin → 3,4,5-trihydroxy-6-({3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4-oxo-4H-chromen-2-yl}oxy)oxane-2-carboxylic aciddetails