CANNABIDIOL ACID

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FJX8O3OJCD

Structure
InChI Key WVOLTBSCXRRQFR-DLBZAZTESA-N
Smile C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O
InChI
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30O4
Molecular Weight 358.48
AlogP 5.54
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 77.76
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 19400 - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
12000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hallux Valgus 2 D006215 ClinicalTrials

Cross References

Resources Reference
ChEBI 3359
ChEMBL CHEMBL498672
EPA CompTox DTXSID80154318
FDA SRS FJX8O3OJCD
Guide to Pharmacology 10600
KEGG C10784
SureChEMBL SCHEMBL141666
ZINC ZINC000004098864
CONTENTS