Summary

IMPPAT Phytochemical identifier: IMPHY013110

Phytochemical name: Heptenol

Synonymous chemical names:
heptenol

External chemical identifiers:
CID:12508287, SureChEMBL:SCHEMBL28823

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Chemical structure information

SMILES:
CCCCC/C=C/O

InChI:
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h6-8H,2-5H2,1H3/b7-6+

InChIKey:
HDQDUBPEBVXIBJ-VOTSOKGWSA-N

DeepSMILES:
CCCCC/C=C/O

Functional groups:
C/C=C/O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Enols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.794

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Chemical structure download