Summary

IMPPAT Phytochemical identifier: IMPHY005083

Phytochemical name: Nordihydrocapsaicin

Synonymous chemical names:
8-nordihydrocapsaicin, nordihydrocapsaicin

External chemical identifiers:
CID:168836, ChEBI:174101, ZINC:ZINC000005757941, FDASRS:RF657P8DA8, SureChEMBL:SCHEMBL117622, MolPort-020-005-939

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Chemical structure information

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

InChI:
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)

InChIKey:
VQEONGKQWIFHMN-UHFFFAOYSA-N

DeepSMILES:
COcccCNC=O)CCCCCCC)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: 0.071

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Chemical structure download