Summary

IMPPAT Phytochemical identifier: IMPHY003126

Phytochemical name: Homodihydrocapsaicin

Synonymous chemical names:
homodihydrocapsaicin

External chemical identifiers:
CID:3084336, ChEBI:174344, ZINC:ZINC000013383221, FDASRS:QE35S0T20Z, SureChEMBL:SCHEMBL1870592, MolPort-044-726-990

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Chemical structure information

SMILES:
COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O

InChI:
InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)

InChIKey:
AKDLSISGGARWFP-UHFFFAOYSA-N

DeepSMILES:
COcccCNC=O)CCCCCCCCC)C))))))))))))ccc6O

Functional groups:
CNC(C)=O, 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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Capsaicins and Capsaicinoids, Phenylalanine-derived alkaloids

NP-Likeness score: 0.064

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Chemical structure download