Summary

IMPPAT Phytochemical identifier: IMPHY006929

Phytochemical name: 2-Carene

Synonymous chemical names:
2-carene

External chemical identifiers:
CID:79044, ChEMBL:CHEMBL2286984, SureChEMBL:SCHEMBL305407

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Chemical structure information

SMILES:
CC1=CC2C(CC1)C2(C)C

InChI:
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3

InChIKey:
IBVJWOMJGCHRRW-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))C3C)C

Functional groups:
CC=C(C)C

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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: 3.414

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Chemical structure download