cannabinol   

GtoPdb Ligand ID: 740

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key VBGLYOIFKLUMQG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
International Nonproprietary Names
INN number INN
2887 cannabinol
Database Links
BindingDB Ligand 50061117
CAS Registry No. 521-35-7
ChEBI CHEBI:3360
ChEMBL Ligand CHEMBL74415
GtoPdb PubChem SID 135650052
PubChem CID 2543
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Wikipedia Cannabinol

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Tocris
Cannabinol
Cat. No. 3130