Summary

IMPPAT Phytochemical identifier: IMPHY015714

Phytochemical name: (E)-Hept-4-en-2-ol

Synonymous chemical names:
(e)-4-hepten-2-ol, hept-4-en-2-ol

External chemical identifiers:
CID:5352825, SureChEMBL:SCHEMBL1658878

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Chemical structure information

SMILES:
CC/C=C/CC(O)C

InChI:
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h4-5,7-8H,3,6H2,1-2H3/b5-4+

InChIKey:
KZUFTCBJDQXWOJ-SNAWJCMRSA-N

DeepSMILES:
CC/C=C/CCO)C

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: 2.395

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Chemical structure download