Summary

IMPPAT Phytochemical identifier: IMPHY004878

Phytochemical name: Eupatolitin

Synonymous chemical names:
eupatoletin, eupatolitin(3,5,3',4'-tetrahydroxy-6,7-dimethoxyflavone)

External chemical identifiers:
CID:5317291, ChEBI:81340, MolPort-044-754-131

---

Chemical structure information

SMILES:
COc1cc2oc(c3ccc(c(c3)O)O)c(c(=O)c2c(c1OC)O)O

InChI:
InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)17(11)24-2)13(20)15(22)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-19,21-22H,1-2H3

InChIKey:
WYKWHSPRHPZRCR-UHFFFAOYSA-N

DeepSMILES:
COcccoccccccc6)O))O)))))cc=O)c6cc%10OC)))O))))O

Functional groups:
c=O, cO, cOC, 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: 1.512

---

Chemical structure download