tetrahydrocannabivarin   Click here for help

GtoPdb Ligand ID: 6418

Abbreviated name: THC-V
Synonyms: Δ9-tetrahydrocannabivarin | Δ9-THCV | delta9-THCV | THCV
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 29.46
Molecular weight 286.19
XLogP 5.34
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C
Isomeric SMILES CCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C
InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
InChI Key ZROLHBHDLIHEMS-HUUCEWRRSA-N
References
1. De Petrocellis L, Orlando P, Moriello AS, Aviello G, Stott C, Izzo AA, Di Marzo V. (2012)
Cannabinoid actions at TRPV channels: effects on TRPV3 and TRPV4 and their potential relevance to gastrointestinal inflammation.
Acta Physiol (Oxf), 204 (2): 255-66. [PMID:21726418]