DELTA 8-TETRAHYDROCANNOBINOL

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Synonyms
Status
Molecule Category Free-form
UNII B49D0HH807
EPA CompTox DTXSID20878586

Structure

InChI Key HCAWPGARWVBULJ-IAGOWNOFSA-N
Smiles CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
InChI
InChI=1S/C21H30O2/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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30O2
Molecular Weight 314.47
AlogP 5.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
630.96 179 - 12-703 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 12-78 -
Mus musculus
- - - 39.3-39.6 79-100
Rattus norvegicus
630.96 - - 47.6-47.6 -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL267227
FDA SRS B49D0HH807
SureChEMBL SCHEMBL2762327
ZINC ZINC000001721178
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