Summary

IMPPAT Phytochemical identifier: IMPHY005430

Phytochemical name: 3,7,4'-Trihydroxyflavone

Synonymous chemical names:
3',4',7-trihydroxyflavone, 3,4',7-trihydroxyflavone, 3,4,7-trihydroxyflavone, 3,7,4' -trihydroxyflavone, 3,7,4'-trihydroxyflavone, 4',7-dihydroxy-flavonol, 5-deoxykaempferol, flavone,3,7,4'-trihydroxy

External chemical identifiers:
CID:5281611, ChEMBL:CHEMBL242383, ZINC:ZINC000006093351, SureChEMBL:SCHEMBL344710, MolPort-004-955-094

---

Chemical structure information

SMILES:
Oc1ccc(cc1)c1oc2cc(O)ccc2c(=O)c1O

InChI:
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H

InChIKey:
OBWHQJYOOCRPST-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))cocccO)ccc6c=O)c%10O

Functional groups:
c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.038

---

Chemical structure download