Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000596

Phytochemical name: 1-Heptanol

Synonymous chemical names:
heptanol*, n-heptylalcohol, heptan-1-ol, 1-heptanol, heptanol, heptan- 1-ol, heptan- 1-01

External chemical identifiers:
CID:CID_8129, ChEMBL:CHEMBL273459, ChEBI:CHEBI:43003, ZINC:ZINC000001666984, FDASRS:8JQ5607IO5, SureChEMBL:SCHEMBL2077, MolPort-001-779-717

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Chemical structure information

SMILES:
CCCCCCCO

InChI:
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey:
BBMCTIGTTCKYKF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.938

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Chemical structure download