Summary

IMPPAT Phytochemical identifier: IMPHY002570

Phytochemical name: Broussoflavonol D

Synonymous chemical names:
broussoflavonol d

External chemical identifiers:
CID:14542432, ZINC:ZINC000013379921

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Chemical structure information

SMILES:
C=CC(c1c(O)cc(c2c1oc(c1cc(O)c3c(c1CC=C(C)C)C=CC(O3)(C)C)c(c2=O)O)O)(C)C

InChI:
InChI=1S/C30H32O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h8-9,11-14,31-33,35H,1,10H2,2-7H3

InChIKey:
FAVGADQXPDBFQP-UHFFFAOYSA-N

DeepSMILES:
C=CCccO)cccc6occccO)ccc6CC=CC)C)))))C=CCO6)C)C)))))))))cc6=O))O))))))O)))))C)C

Functional groups:
C=CC, CC=C(C)C, c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)C=CCO3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCCCC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCCC3C2)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: 2.778

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Chemical structure download