Summary

IMPPAT Phytochemical identifier: IMPHY017378

Phytochemical name: Cyclopentanone, 3-[3,5-decadienyl]-, (E,E)-

Synonymous chemical names:
3-[(3e,5e)-deca-3,5-dienyl]cyclopentan-1-one

External chemical identifiers:
CID:5362837

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Chemical structure information

SMILES:
CCCC/C=C/C=C/CCC1CCC(=O)C1

InChI:
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(16)13-14/h5-8,14H,2-4,9-13H2,1H3/b6-5+,8-7+

InChIKey:
MUCZESFIYHKOBE-BSWSSELBSA-N

DeepSMILES:
CCCC/C=C/C=C/CCCCCC=O)C5

Functional groups:
C/C=C/C=C/C, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

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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-Likeness score: 2.011

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Chemical structure download