Summary

IMPPAT Phytochemical identifier: IMPHY005894

Phytochemical name: Broussoflavonol C

Synonymous chemical names:
broussoflavonol c

External chemical identifiers:
CID:5481967, ZINC:ZINC000013379920

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Chemical structure information

SMILES:
C=CC(c1c(O)cc(c2c1oc(c1cc(O)c(c(c1CC=C(C)C)CC=C(C)C)O)c(c2=O)O)O)(C)C

InChI:
InChI=1S/C30H34O7/c1-8-30(6,7)24-21(32)14-20(31)23-26(35)27(36)28(37-29(23)24)19-13-22(33)25(34)18(12-10-16(4)5)17(19)11-9-15(2)3/h8-10,13-14,31-34,36H,1,11-12H2,2-7H3

InChIKey:
HHTKCKAMIUFCSO-UHFFFAOYSA-N

DeepSMILES:
C=CCccO)cccc6occccO)ccc6CC=CC)C)))))CC=CC)C)))))O)))))cc6=O))O))))))O)))))C)C

Functional groups:
C=CC, CC=C(C)C, c=O, cO, 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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.144

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Chemical structure download