Summary

IMPPAT Phytochemical identifier: IMPHY017383

Phytochemical name: 3-Decen-2-one

Synonymous chemical names:
3-decen-2-one

External chemical identifiers:
CID:5363233, ChEMBL:CHEMBL206566, ZINC:ZINC000001850723, FDASRS:Z22804BQXD, SureChEMBL:SCHEMBL120780, MolPort-003-960-010

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+

InChIKey:
JRPDANVNRUIUAB-CMDGGOBGSA-N

DeepSMILES:
CCCCCC/C=C/C=O)C

Functional groups:
C/C=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: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.711

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Chemical structure download