Summary

IMPPAT Phytochemical identifier: IMPHY013363

Phytochemical name: Flemiwallichin E

Synonymous chemical names:
flemiwallichin e

External chemical identifiers:
CID:42607582, ZINC:ZINC000015216768

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Chemical structure information

SMILES:
C/C(=CCc1ccc(c(c1O)O)C(=O)/C=C/c1ccccc1O)/CCC=C(C)C

InChI:
InChI=1S/C25H28O4/c1-17(2)7-6-8-18(3)11-12-20-13-15-21(25(29)24(20)28)23(27)16-14-19-9-4-5-10-22(19)26/h4-5,7,9-11,13-16,26,28-29H,6,8,12H2,1-3H3/b16-14+,18-11+

InChIKey:
UETBQDPDIVULOK-DKVGIESQSA-N

DeepSMILES:
C/C=CCcccccc6O))O))C=O)/C=C/cccccc6O))))))))))))))))/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: 1.439

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Chemical structure download