Summary

IMPPAT Phytochemical identifier: IMPHY013862

Phytochemical name: 2,4-Heptadienol

Synonymous chemical names:
2,4-heptadienol

External chemical identifiers:
CID:118487, SureChEMBL:SCHEMBL1245951

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Chemical structure information

SMILES:
CCC=CC=CCO

InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3

InChIKey:
MDRZSADXFOPYOC-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=CCO

Functional groups:
CC=CC=CC, 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: 2.495

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Chemical structure download