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CHEBI:50399 - 3',4',7-trihydroxyisoflavone

ChEBI IDCHEBI:50399
ChEBI Name3',4',7-trihydroxyisoflavone
Stars
DefinitionA 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'.
Secondary ChEBI IDsCHEBI:33177, CHEBI:34315
Last Modified9 October 2024
SubmitterKirill Degtyarenko, Marcus Ennis
DownloadsMolfile
FormulaC15H10O5
Net Charge0
Average Mass270.240
Monoisotopic Mass270.05282
SMILESO=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12
InChIInChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
InChIKeyDDKGKOOLFLYZDL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cordyceps sinensis (ncbitaxon:72228) mycelium (BTO:0001436) PubMed (21848266) Ethanolic extract of dried mycelia
Roles Classification
Biological Roles:
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor  An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of of 3-oxo-5α-steroid 4-dehydrogenase (NADP+), EC 1.3.1.22, the enzyme which converts testosterone (CHEBI:17347) into the more potent androgen 5α-dihydrotestosterone.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
3',4',7-trihydroxyisoflavone (CHEBI:50399) has functional parent daidzein (CHEBI:28197)
3',4',7-trihydroxyisoflavone (CHEBI:50399) has role antineoplastic agent (CHEBI:35610)
3',4',7-trihydroxyisoflavone (CHEBI:50399) has role EC 1.3.1.22 [3-oxo-5α-steroid 4-dehydrogenase (NADP+)] inhibitor (CHEBI:50781)
3',4',7-trihydroxyisoflavone (CHEBI:50399) has role metabolite (CHEBI:25212)
3',4',7-trihydroxyisoflavone (CHEBI:50399) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
Synonyms  Source
3',4',7-trihydroxyisoflavoneChemIDplus
3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-oneChemIDplus
3',4',7-TrihydroxyisoflavoneKEGG COMPOUND
3'-hydroxydaidzeinChEBI
Manual XrefsDatabases
C14313KEGG COMPOUND
LMPK12050055LIPID MAPS
HMDB0041655HMDB
C00009384KNApSAcK
47XPDBeChem
Registry NumbersSources
Beilstein:251800Beilstein
Reaxys:251800Reaxys
CAS:485-63-2ChemIDplus
CAS:485-63-2KEGG COMPOUND
Citations