Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018160

Phytochemical name: Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-

Synonymous chemical names:
Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-

Chemical structure information

SMILES:
CC1=CCC[C@@H](C1)C(=C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m0/s1

InChIKey:
JWQKMEKSFPNAIB-JTQLQIEISA-N

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

Functional groups:
C=C(C)C, 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: Monocyclic monoterpenoids

NP-Likeness score: 2.349

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Chemical structure download