Summary

IMPPAT Phytochemical identifier: IMPHY004450

Phytochemical name: 5,7,2',6'-Tetrahydroxyflavone

Synonymous chemical names:
2,5,6,7-tetrahydroxyflavone

External chemical identifiers:
CID:5321865, SureChEMBL:SCHEMBL8158889, MolPort-047-145-712

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(cc2=O)c1c(O)cccc1O

InChI:
InChI=1S/C15H10O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-6,16-19H

InChIKey:
WJXXUIYFPVIHDH-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O)))ccO)cccc6O

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: Flavones

NP-Likeness score: 1.454

---

Chemical structure download