3,6,9-trihydroxypterocarpan (CHEBI:15649)

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ChEBI Name	3,6,9-trihydroxypterocarpan

ChEBI ID	CHEBI:15649

Definition	A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	SBeisken

Secondary ChEBI IDs	CHEBI:10935, CHEBI:18600, CHEBI:260, CHEBI:78027

Supplier Information

Download	Molfile XML SDF

Formulae

C15H12O5
C15H12O5

Net Charge

Average Mass

272.25280

Monoisotopic Mass

272.06847

InChI

InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1

InChIKey

QMXOFBXZEKTJIK-LSDHHAIUSA-N

SMILES

Oc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1

Roles Classification
Biological Role(s):	phytoestrogen Any compound produced by a plant that happens to have estrogenic activity. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology
Outgoing	3,6,9-trihydroxypterocarpan (CHEBI:15649) has role antibacterial agent (CHEBI:33282) 3,6,9-trihydroxypterocarpan (CHEBI:15649) has role antimicrobial agent (CHEBI:33281) 3,6,9-trihydroxypterocarpan (CHEBI:15649) has role phytoestrogen (CHEBI:76989) 3,6,9-trihydroxypterocarpan (CHEBI:15649) has role plant metabolite (CHEBI:76924) 3,6,9-trihydroxypterocarpan (CHEBI:15649) is a pterocarpans (CHEBI:26377)

Incoming	(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) has functional parent 3,6,9-trihydroxypterocarpan (CHEBI:15649) (6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50036) has functional parent 3,6,9-trihydroxypterocarpan (CHEBI:15649)

IUPAC Name

(6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol

Synonyms	Sources
(-)-Glycinol	KEGG COMPOUND
(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan	HMDB
(6aS,11aS)-3,6a,9-Trihydroxypterocarpan	KEGG COMPOUND
(6aS,11aS)-3,6a,9-trihydroxypterocarpan	UniProt
(6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol	ChemIDplus
3,6,9-Trihydroxypterocarpan	KEGG COMPOUND
6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol	HMDB
Glycinol	HMDB

Manual Xrefs	Databases
6AS11AS-36A9-TRIHYDROXYPTEROCARPAN	MetaCyc
C00002532	KNApSAcK
C01263	KEGG COMPOUND
HMDB0034105	HMDB
LMPK12070128	LIPID MAPS
View more database links

Last Modified

12 August 2015