Summary

IMPPAT Phytochemical identifier: IMPHY009358

Phytochemical name: Docosanol

Synonymous chemical names:
1-docosanol, docosan-1-ol, docosanol, docosyl alcohol, n-1-docosanol

External chemical identifiers:
CID:12620, ChEMBL:CHEMBL1200453, ChEBI:31000, ZINC:ZINC000006920384, FDASRS:9G1OE216XY, SureChEMBL:SCHEMBL51925, MolPort-003-666-887

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

InChIKey:
NOPFSRXAKWQILS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCO

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: 0.326

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Chemical structure download