Summary

IMPPAT Phytochemical identifier: IMPHY004375

Phytochemical name: Skullcapflavone I

Synonymous chemical names:
panicolin, skullcapflavone i

External chemical identifiers:
CID:5320399, ZINC:ZINC000002392262, FDASRS:8P86A8Q1G0, SureChEMBL:SCHEMBL6069761, MolPort-035-706-534

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1OC)oc(cc2=O)c1ccccc1O

InChI:
InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-5-3-4-6-10(9)18/h3-8,18,20H,1-2H3

InChIKey:
CZRGNFVQUYWGKP-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6OC)))occc6=O)))cccccc6O

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: 1.253

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Chemical structure download