Summary

IMPPAT Phytochemical identifier: IMPHY004730

Phytochemical name: Kuwanon A

Synonymous chemical names:
kuwanon a

External chemical identifiers:
CID:44258296, ChEMBL:CHEMBL1770312, ChEBI:169841, ZINC:ZINC000059735702, MolPort-042-624-495

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Chemical structure information

SMILES:
CC(=CCc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c2c1OC(C)(C)C=C2)O)C

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

InChIKey:
DBUNRZUFILGKHP-UHFFFAOYSA-N

DeepSMILES:
CC=CCccoccc6=O))cO)ccc6)O)))))))cccccc6OCC)C)C=C6))))))O)))))))))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(-c2cccc3c2OCC=C3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC3CCCOC32)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC3CCCCC32)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: 2.627

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Chemical structure download