Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018085

Phytochemical name: 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-

Synonymous chemical names:
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-

External chemical identifiers:
CID:CID_12618691, ChEMBL:CHEMBL451087, ZINC:ZINC000005158402, FDASRS:5GXE2SU4ZN, Molport-006-118-565

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1

InChIKey:
MKPMHJQMNACGDI-NXEZZACHSA-N

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

Functional groups:
C=C(C)C, CC=CC, CO

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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: 3.573

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Chemical structure download