Summary

IMPPAT Phytochemical identifier: IMPHY002592

Phytochemical name: Kuwanol D

Synonymous chemical names:
kuwanol d

External chemical identifiers:
CID:14539881, ZINC:ZINC000034316584, SureChEMBL:SCHEMBL633216

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Chemical structure information

SMILES:
C/C(=CCc1cc(/C=C/C(=O)c2ccc(cc2O)O)c(cc1O)O)/CCC=C(C)C

InChI:
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+

InChIKey:
ARIUOJMONLRTJR-NNVJOTTFSA-N

DeepSMILES:
C/C=CCccc/C=C/C=O)cccccc6O)))O))))))))ccc6O)))O)))))))/CCC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)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: 1.667

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Chemical structure download