Summary

IMPPAT Phytochemical identifier: IMPHY004683

Phytochemical name: 8-Hydroxyquercetagetin

Synonymous chemical names:
8-hydroxyquercetagetin

External chemical identifiers:
CID:44260065, ZINC:ZINC000015271738

---

Chemical structure information

SMILES:
Oc1cc(ccc1O)c1oc2c(O)c(O)c(c(c2c(=O)c1O)O)O

InChI:
InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H

InChIKey:
IVVIBMKOLWEERH-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))))coccO)cO)ccc6c=O)c%10O))))O))O

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: 1.671

---

Chemical structure download