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
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Synonyms Click here for help
Δ9-tetrahydrocannabivarin | Δ9-THCV | delta9-THCV | THCV
Database Links Click here for help
CAS Registry No. 31262-37-0 (source: SciFinder)
ChEMBL Ligand CHEMBL2387541
GtoPdb PubChem SID 178103034
PubChem CID 93147
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Wikipedia Tetrahydrocannabivarin