Summary

IMPPAT Phytochemical identifier: IMPHY002849

Phytochemical name: Tetracosyl ferulate

Synonymous chemical names:
lignoceryl ferulate, tetracosyl ferulate

External chemical identifiers:
CID:14238617, ChEMBL:CHEMBL4083004, SureChEMBL:SCHEMBL10608577

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O

InChI:
InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26+

InChIKey:
VUUWEVURXOCTGG-BYCLXTJYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCOC=O)/C=C/cccccc6)OC)))O

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

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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: 0.4

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Chemical structure download