borneol   

GtoPdb Ligand ID: 6413

Synonyms: (+)-borneol | isoborneol
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1CC2C(C1(C)CC2)(C)C
Isomeric 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+/m1/s1
InChI Key DTGKSKDOIYIVQL-WEDXCCLWSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
(1R,4R,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
Synonyms
(+)-borneol | isoborneol
Database Links
CAS Registry No. 464-43-7 (source: SciFinder)
ChEBI CHEBI:15393
ChEMBL Ligand CHEMBL486208
GtoPdb PubChem SID 178103029
PubChem CID 6552009
Search Google for chemical match using the InChIKey DTGKSKDOIYIVQL-WEDXCCLWSA-N
Search Google for chemicals with the same backbone DTGKSKDOIYIVQL
Search UniChem for chemical match using the InChIKey DTGKSKDOIYIVQL-WEDXCCLWSA-N
Search UniChem for chemicals with the same backbone DTGKSKDOIYIVQL
Wikipedia Borneol