Summary

IMPPAT Phytochemical identifier: IMPHY007095

Phytochemical name: Cyclotene

Synonymous chemical names:
2-hydroxy-3-methyl-cyclopent-2-en-1-one, cyclotene

External chemical identifiers:
CID:6660, ZINC:ZINC000021300156, FDASRS:627E92X64B, SureChEMBL:SCHEMBL112009, MolPort-003-987-222

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Chemical structure information

SMILES:
OC1=C(C)CCC1=O

InChI:
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3

InChIKey:
CFAKWWQIUFSQFU-UHFFFAOYSA-N

DeepSMILES:
OC=CC)CCC5=O

Functional groups:
CC1=C(O)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: 1.669

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Chemical structure download