Summary

IMPPAT Phytochemical identifier: IMPHY009486

Phytochemical name: (2E,5E)-2,5-Heptadiene-1-ol

Synonymous chemical names:
2,5-heptadien-1-ol

External chemical identifiers:
CID:12418165, SureChEMBL:SCHEMBL9218711

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Chemical structure information

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

InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2+,6-5+

InChIKey:
ZKKRKBOEKNOTPX-ZIMISOLQSA-N

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

Functional groups:
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: 2.724

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Chemical structure download