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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 15:12:17 UTC
Update Date2022-03-07 02:49:17 UTC
HMDB IDHMDB0002895
Secondary Accession Numbers
  • HMDB0006656
  • HMDB02895
  • HMDB06656
Metabolite Identification
Common NameSennidin B
DescriptionSennidin B belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Based on a literature review very few articles have been published on Sennidin B.
Structure
Data?1582752258
Synonyms
ValueSource
Sennidine bHMDB
DihydroxydianthroneHMDB
Sennidine aHMDB
Sennidin aHMDB
Dihydroxydianthrone, (r*,s*)-isomerHMDB
(9R,9's)-4,4',5,5'-Tetrahydroxy-10,10'-dioxo-9H,9'H,10H,10'H-[9,9'-bianthracene]-2,2'-dicarboxylateHMDB
Sennidin bMeSH
Chemical FormulaC30H18O10
Average Molecular Weight538.4579
Monoisotopic Molecular Weight538.089996796
IUPAC Name(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9,10-dihydroanthracen-9-yl]-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-carboxylic acid
Traditional Namesennidin B
CAS Registry Number517-44-2
SMILES
[H][C@@]1(C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O
InChI Identifier
InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
InChI KeyJPMRHWLJLNKRTJ-SZPZYZBQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassAnthracenecarboxylic acids and derivatives
Direct ParentAnthracenecarboxylic acids
Alternative Parents
Substituents
  • Anthracene carboxylic acid
  • 2-naphthalenecarboxylic acid
  • 2-naphthalenecarboxylic acid or derivatives
  • Hydroxybenzoic acid
  • Aryl ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Dicarboxylic acid or derivatives
  • Vinylogous acid
  • Ketone
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point801.80 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility4.6e-05 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.272Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023079
KNApSAcK IDNot Available
Chemspider ID8635293
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID2410
PubChem Compound10459879
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1698801
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Abe D, Saito T, Sekiya K: Sennidin stimulates glucose incorporation in rat adipocytes. Life Sci. 2006 Aug 8;79(11):1027-33. Epub 2006 Mar 16. [PubMed:16603199 ]