Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015816

Phytochemical name: Carane

Synonymous chemical names:
caranes, carane, cis-carane

External chemical identifiers:
CID:CID_79043, ChEBI:CHEBI:35663, SureChEMBL:SCHEMBL8893, MolPort-035-881-860

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Chemical structure information

SMILES:
CC1CCC2C(C1)C2(C)C

InChI:
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3

InChIKey:
BWRHOYDPVJPXMF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)C3C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CC2C1

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: 2.244

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Chemical structure download