Summary

IMPPAT Phytochemical identifier: IMPHY004729

Phytochemical name: Kuwanon B

Synonymous chemical names:
kuwanon b

External chemical identifiers:
CID:44258295, ChEBI:169849, ZINC:ZINC000059735698, MolPort-047-585-388

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Chemical structure information

SMILES:
CC(=CCc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc2c(c1O)C=CC(O2)(C)C)C

InChI:
InChI=1S/C25H24O6/c1-13(2)5-6-17-23(29)21-18(27)11-14(26)12-20(21)30-24(17)16-7-8-19-15(22(16)28)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3

InChIKey:
GHYDRKXFHRBWGZ-UHFFFAOYSA-N

DeepSMILES:
CC=CCccoccc6=O))cO)ccc6)O)))))))cccccc6O))C=CCO6)C)C)))))))))))))C

Functional groups:
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: Flavones

NP-Likeness score: 2.532

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Chemical structure download