Summary

IMPPAT Phytochemical identifier: IMPHY003955

Phytochemical name: (R)-4-Isopropylcyclohex-2-enone

Synonymous chemical names:
(r)-4-isopropylcyclohex-2-enone, 4-isopropenylcyclohex-2-enone, cryptone

External chemical identifiers:
CID:642520, ZINC:ZINC000004429301, FDASRS:H55SR1JVXM, SureChEMBL:SCHEMBL3986168

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Chemical structure information

SMILES:
CC([C@H]1CCC(=O)C=C1)C

InChI:
InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3/t8-/m1/s1

InChIKey:
AANMVENRNJYEMK-MRVPVSSYSA-N

DeepSMILES:
CC[C@H]CCC=O)C=C6))))))C

Functional groups:
CC(=O)C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.85

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Chemical structure download