JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

Home
Compounds
ALA4249046

Cyclocannabigerol B

ID: ALA4249046

Chembl Id: CHEMBL4249046

PubChem CID: 101922675

Max Phase: Preclinical

Molecular Formula: C21H32O2

Molecular Weight: 316.49

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CCCCCc1cc(O)c2c(c1)O[C@@]1(C)CCCC(C)(C)[C@H]1C2

Standard InChI: InChI=1S/C21H32O2/c1-5-6-7-9-15-12-17(22)16-14-19-20(2,3)10-8-11-21(19,4)23-18(16)13-15/h12-13,19,22H,5-11,14H2,1-4H3/t19-,21+/m1/s1

Standard InChI Key: KPTGTVLDBMVBEX-CTNGQTDRSA-N

Alternative Forms

Parent:

ALA4249046
(8aR,10aS)-8,8,10a-trimethyl-3-pentyl-6,7,8a,9-tetrahydro-5H-xanthen-1-ol

Associated Targets(Human)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Trpv3 Transient receptor potential cation channel, subfamily V, member 3 (20 Activities)

Discover Target: Trpv3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpv2 Transient receptor potential cation channel subfamily V member 2 (148 Activities)

Discover Target: Trpv2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpv4 Transient receptor potential cation channel subfamily V member 4 (137 Activities)

Discover Target: Trpv4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Molecule Features

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 316.49	Molecular Weight (Monoisotopic): 316.2402	AlogP: 5.64	#Rotatable Bonds: 4
Polar Surface Area: 29.46	Molecular Species: NEUTRAL	HBA: 2	HBD: 1
#RO5 Violations: 1	HBA (Lipinski): 2	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 9.87	CX Basic pKa: ┄	CX LogP: 6.44	CX LogD: 6.44
Aromatic Rings: 1	Heavy Atoms: 23	QED Weighted: 0.73	Np Likeness Score: 2.26

References

1. Lopatriello A, Caprioglio D, Minassi A, Schiano Moriello A, Formisano C, De Petrocellis L, Appendino G, Taglialatela-Scafati O.. (2018) Iodine-mediated cyclization of cannabigerol (CBG) expands the cannabinoid biological and chemical space., 26 (15): [PMID:30077611] [10.1016/j.bmc.2018.07.044]

Source

Source(1):

Scientific Literature