Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000223

Phytochemical name: d-Borneol

Synonymous chemical names:
isoborneol, camphol, Borneol, lsoborneol, Isoborneol, isobomeol, iso borneol, isobornylalcohol, 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, borneol

External chemical identifiers:
CID:CID_61060, CID:CID_6321405, CID:CID_64685, ZINC:ZINC000100014268, SureChEMBL:SCHEMBL1245683

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Chemical structure information

SMILES:
O[C@@H]1C[C@H]2C([C@@]1(C)CC2)(C)C

InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1

InChIKey:
DTGKSKDOIYIVQL-XKSSXDPKSA-N

DeepSMILES:
O[C@@H]C[C@H]C[C@@]5C)CC5)))C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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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: 2.542

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Chemical structure download