Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000150

Phytochemical name: 3-Carene

Synonymous chemical names:
𝛿-3-carene*, 3-Carene, delta carene, *3-carene, delta-carene, δ3-carene, (+)-car-3-ene, car-3-ene, δ-3-carene, l-δ3-carene, 𝛿- -3-carene, 3-carene, δ−3-carene, 𝛿-3-carene+, 𝛿-3-carene, carene, δ-3-caren, delta-3-carene, δ³-carene, Car-3-ene, delta3-carene, 𝛿- 3-carene

External chemical identifiers:
CID:CID_26049, ChEMBL:CHEMBL506854, ChEBI:CHEBI:35661, SureChEMBL:SCHEMBL112444, MolPort-006-120-436

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Chemical structure information

SMILES:
CC1=CCC2C(C1)C2(C)C

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

InChIKey:
BQOFWKZOCNGFEC-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=CCC2CC2C1

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: 2.769

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Chemical structure download