cannabinol   Click here for help

GtoPdb Ligand ID: 740

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 29.46
Molecular weight 310.19
XLogP 6.84
No. Lipinski's rules broken 1
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Canonical SMILES CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C
Isomeric SMILES CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C
InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2887 cannabinol
Database Links Click here for help
Specialist databases
GPCRdb Ligand cannabinol
Other databases
BindingDB Ligand 50061117
CAS Registry No. 521-35-7
ChEMBL Ligand CHEMBL74415
GtoPdb PubChem SID 135650052
PubChem CID 2543
Search Google for chemical match using the InChIKey VBGLYOIFKLUMQG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VBGLYOIFKLUMQG
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UniChem Compound Search for chemical match using the InChIKey VBGLYOIFKLUMQG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VBGLYOIFKLUMQG-UHFFFAOYSA-N
Wikipedia Cannabinol

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Cannabinol (links to external site)
Cat. No. 3130