Summary

IMPPAT Phytochemical identifier: IMPHY014866

Phytochemical name: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-

Synonymous chemical names:
(z)-carvyl acetate, cis-carvyl acetate, cis-carvyl-acetate

External chemical identifiers:
CID:102024, ZINC:ZINC000000404781, FDASRS:5481G91UGI, SureChEMBL:SCHEMBL15914122

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Chemical structure information

SMILES:
CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C

InChI:
InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12-/m1/s1

InChIKey:
YTHRBOFHFYZBRJ-VXGBXAGGSA-N

DeepSMILES:
CC=O)O[C@@H]C[C@@H]CC=C6C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.648

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Chemical structure download