Summary

IMPPAT Phytochemical identifier: IMPHY015713

Phytochemical name: Hept-1-enyl acetate

Synonymous chemical names:
hept-1-en-1-ol-acetate

External chemical identifiers:
CID:5463146, ZINC:ZINC000005820036, SureChEMBL:SCHEMBL1783705

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Chemical structure information

SMILES:
CCCCC/C=C/OC(=O)C

InChI:
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+

InChIKey:
JMFFUDMJDZXYCT-BQYQJAHWSA-N

DeepSMILES:
CCCCC/C=C/OC=O)C

Functional groups:
C/C=C/OC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 2.26

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Chemical structure download