Summary

IMPPAT Phytochemical identifier: IMPHY004808

Phytochemical name: 3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone

Synonymous chemical names:
3,5-dihydroxy-6,7,3',4'-tetramethoxyflavone

External chemical identifiers:
CID:44259639, ZINC:ZINC000059767986

---

Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(OC)c(c(c1)OC)OC

InChI:
InChI=1S/C19H18O8/c1-23-10-7-11(20)15-12(8-10)27-18(17(22)16(15)21)9-5-13(24-2)19(26-4)14(6-9)25-3/h5-8,20,22H,1-4H3

InChIKey:
XNIAWIUYUMBOBR-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))O))cccOC))ccc6)OC)))OC

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: 1.163

---

Chemical structure download