Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000579

Phytochemical name: Camphor

Synonymous chemical names:
camphora, camphore, *camphor, camphor, camphor -3, camphor-1, camphor (c10h16o), camphor(8)*, Camphor, camphor*

External chemical identifiers:
CID:CID_2537, ChEMBL:CHEMBL15768, ChEBI:CHEBI:36773, SureChEMBL:SCHEMBL16068, MolPort-002-506-944

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Chemical structure information

SMILES:
O=C1CC2C(C1(C)CC2)(C)C

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3

InChIKey:
DSSYKIVIOFKYAU-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C)CC5)))C)C

Functional groups:
CC(=O)C

Link to spectral information:
MSBNK-Athens_Univ-AU504303, MSBNK-Athens_Univ-AU504301, MSBNK-Athens_Univ-AU504302, MSBNK-Athens_Univ-AU504304, MSBNK-Athens_Univ-AU504305, MSBNK-Washington_State_Univ-BML80867

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC1C2

Scaffold Graph/Node level:
OC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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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: Camphane monoterpenoids

NP-Likeness score: 2.073

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Chemical structure download