CANNABIDIVARIN

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Search structure


Synonyms	CBD-V CBDV Cannabidivarin Cannabidivarol GWP42006 Gwp-42006
Status
Molecule Category	UNKNOWN
UNII	I198VBV98I


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	REOZWEGFPHTFEI-JKSUJKDBSA-N
Smiles	C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O
InChI	InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H26O2
Molecular Weight	286.42
AlogP	5.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Assay Description	Organism	Bioactivity	Reference
Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 mins by scintillation counting method	Homo sapiens	574.0 nM
Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level preincubated for 5 mins followed by icilin addition by Fluo-4Am dye based fluorescence assay	Rattus norvegicus	900.0 nM
Agonist activity at recombinant rat TRPA1 stably expressed in HEK293 cells assessed as increase in intracellular calcium release by Fluo-4AM dye based fluorescence assay	Rattus norvegicus	420.0 nM
Inhibition of human LDHB assessed as reduction in lactate production using pyruvate as substrate at 10 uM in presence of NADH by spectrophotometric analysis relative to control	Homo sapiens	50.0 %

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL2387742
DrugBank	DB14050
FDA SRS	I198VBV98I
PubChem	11601669
SureChEMBL	SCHEMBL2759238
ZINC	ZINC000005844413

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).