Summary

IMPPAT Phytochemical identifier: IMPHY001711

Phytochemical name: Salvigenin

Synonymous chemical names:
5-hydroxy-6,7,4'-trimethoxyflavone (salvigenin), flavone, 5-hydroxy-4',6,7-trimethoxy, flavone, 5-hydroxy-6,7,4'-trimethoxy, salvigenin, salvigenin(5-hydroxy-6,7,4'-trimethoxyflavone), salvigenine (5-hydroxy-6,7,4'-trimethoxyflavone)

External chemical identifiers:
CID:161271, ChEMBL:CHEMBL376644, ZINC:ZINC000002561268, SureChEMBL:SCHEMBL1427018, MolPort-035-705-973

---

Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC

InChI:
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3

InChIKey:
QCDYOIZVELGOLZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccc6O))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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.989

---

Chemical structure download