Summary

IMPPAT Phytochemical identifier: IMPHY008039

Phytochemical name: hexacosyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Synonymous chemical names:
hexacosyl p-coumarate, hexacosyl-p-coumarate

External chemical identifiers:
CID:6479500

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(cc1)O

InChI:
InChI=1S/C35H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-38-35(37)31-28-33-26-29-34(36)30-27-33/h26-31,36H,2-25,32H2,1H3/b31-28+

InChIKey:
SZCAUZSZQPVKQY-CCFHIKDMSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)/C=C/cccccc6))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP-Likeness score: 0.328

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Chemical structure download