Summary

IMPPAT Phytochemical identifier: IMPHY016115

Phytochemical name: 2-Cyclopenten-1-one, 2-(2-butenyl)-3-methyl-, (Z)-

Synonymous chemical names:
(z)-cinerone

External chemical identifiers:
CID:5373127, ZINC:ZINC000033845547, SureChEMBL:SCHEMBL20384

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Chemical structure information

SMILES:
C/C=CCC1=C(C)CCC1=O

InChI:
InChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4H,5-7H2,1-2H3/b4-3-

InChIKey:
IVLCENBZDYVJPA-ARJAWSKDSA-N

DeepSMILES:
C/C=CCC=CC)CCC5=O

Functional groups:
C/C=CC, CC1=C(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

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-Likeness score: 2.282

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Chemical structure download