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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',7-trihydroxyisoflavone
ChEBI ID CHEBI:50399
Definition A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34315, CHEBI:33177
Supplier Information
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Formula C15H10O5
Net Charge 0
Average Mass 270.23690
Monoisotopic Mass 270.05282
InChI InChI=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
InChIKey DDKGKOOLFLYZDL-UHFFFAOYSA-N
SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
Metabolite of Species Details
Cordyceps sinensis (NCBI:txid72228) Found in mycelium (BTO:0001436). Ethanolic extract of dried mycelia See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-5alpha-steroid 4-dehydrogenase (NADP+), EC 1.3.1.22, the enzyme which converts testosterone (CHEBI:17347) into the more potent androgen 5alpha-dihydrotestosterone.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3',4',7-trihydroxyisoflavone ChemIDplus
3',4',7-Trihydroxyisoflavone KEGG COMPOUND
3'-hydroxydaidzein ChEBI
3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one ChemIDplus
Manual Xrefs Databases
C00009384 KNApSAcK
C14313 KEGG COMPOUND
HMDB0041655 HMDB
LMPK12050055 LIPID MAPS
View more database links
Registry Numbers Types Sources
251800 Beilstein Registry Number Beilstein
251800 Reaxys Registry Number Reaxys
485-63-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19577190 PubMed citation Europe PMC
21378167 PubMed citation Europe PMC
22497114 PubMed citation Europe PMC
23265084 PubMed citation Europe PMC
Last Modified
28 July 2014