abnormal cannabidiol   

GtoPdb Ligand ID: 5526

Synonyms: Abn-CBD | CAY10429
Compound class: Synthetic organic
Comment: Abn-CBD is a synthetic cannabidiol analogue, that is believed to act through receptor(s) other than CB1 and CB2 [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 40.46
Molecular weight 314.22
XLogP 6.8
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCc1cc(O)cc(c1C1C=C(C)CCC1C(=C)C)O
Isomeric SMILES CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
InChI Key YWEZXUNAYVCODW-RBUKOAKNSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol
Synonyms
Abn-CBD | CAY10429
Database Links
CAS Registry No. 22972-55-0 (source: Scfinder)
ChEMBL Ligand CHEMBL499876
GtoPdb PubChem SID 178102169
PubChem CID 89949
RCSB PDB Ligand HVD
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Abn-CBD
Cat. No. 1297