Summary

IMPPAT Phytochemical identifier: IMPHY015779

Phytochemical name: Kanzonol B

Synonymous chemical names:
kanzonol b

External chemical identifiers:
CID:10881804, ChEMBL:CHEMBL561840, ZINC:ZINC000043069427

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc2c(c1)C=CC(O2)(C)C

InChI:
InChI=1S/C20H18O4/c1-20(2)10-9-14-11-13(4-8-19(14)24-20)3-7-17(22)16-6-5-15(21)12-18(16)23/h3-12,21,23H,1-2H3/b7-3+

InChIKey:
TUHJQMZJOMZXJO-XVNBXDOJSA-N

DeepSMILES:
Occcccc6)O))C=O)/C=C/cccccc6)C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)C=CCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCC2OCCCC2C1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC2CCCCC2C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.681

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Chemical structure download