Summary

IMPPAT Phytochemical identifier: IMPHY008303

Phytochemical name: 1-Hepten-3-OL

Synonymous chemical names:
1-hepten-3-ol, hept-1-en-3-ol

External chemical identifiers:
CID:21057, FDASRS:39TWV35509, SureChEMBL:SCHEMBL187210

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Chemical structure information

SMILES:
CCCCC(C=C)O

InChI:
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3

InChIKey:
PZKFYTOLVRCMOA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C))O

Functional groups:
C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.099

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Chemical structure download