Summary

IMPPAT Phytochemical identifier: IMPHY011313

Phytochemical name: (-)-Car-4-ene

Synonymous chemical names:
(+)-car-4-ene

External chemical identifiers:
CID:16211587, ChEBI:87676, ZINC:ZINC000060272350, FDASRS:2TAX77JNCY

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Chemical structure information

SMILES:
C[C@@H]1C=C[C@@H]2[C@H](C1)C2(C)C

InChI:
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1

InChIKey:
LGNSZMLHOYDATP-HLTSFMKQSA-N

DeepSMILES:
C[C@@H]C=C[C@@H][C@H]C6)C3C)C

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC2CC1

Scaffold Graph/Node level:
C1CCC2CC2C1

Scaffold Graph level:
C1CCC2CC2C1

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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: Carane monoterpenoids

NP-Likeness score: 3.109

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Chemical structure download