Summary

IMPPAT Phytochemical identifier: IMPHY006460

Phytochemical name: 2,4-Hexadien-1-OL

Synonymous chemical names:
2,4-hexadien-1-ol

External chemical identifiers:
CID:641256, ChEMBL:CHEMBL3187813, ChEBI:142625, ZINC:ZINC000002041062, FDASRS:11CF2E3HNG, SureChEMBL:SCHEMBL734653, MolPort-001-758-111

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Chemical structure information

SMILES:
C/C=C/C=C/CO

InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+

InChIKey:
MEIRRNXMZYDVDW-MQQKCMAXSA-N

DeepSMILES:
C/C=C/C=C/CO

Functional groups:
C/C=C/C=C/C, 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: 2.636

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Chemical structure download