Summary

IMPPAT Phytochemical identifier: IMPHY009523

Phytochemical name: Skullcapflavone II

Synonymous chemical names:
skullcapflavone ii

External chemical identifiers:
CID:124211, ChEMBL:CHEMBL465561, ChEBI:9061, ZINC:ZINC000000899074, SureChEMBL:SCHEMBL3960981, MolPort-019-937-105

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Chemical structure information

SMILES:
COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O

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

InChIKey:
GMQFOKBGMKVUQZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6ccc=O)cco6)cOC))ccc6O))OC)))OC))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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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: 1.394

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Chemical structure download