SEQ2FUN

BioLiP

PDB CCD ID: I8E
Number of entries in BioLiP: 20
Chemical formula: C19 H26 O2
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
InChIKey: ZROLHBHDLIHEMS-HUUCEWRRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCc1cc(c2c(c1)OC(C3C2C=C(CC3)C)(C)C)O
OpenEye OEToolkits 2.0.7CCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
ACDLabs 12.01CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1
CACTVS 3.385CCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
CACTVS 3.385CCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
Name:Tetrahydrocannabivarin;
(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol;
THCV;
THV;
O-4394;
GWP42004
ChEMBL: CHEMBL2387541
DrugBank: DB11755
ZINC: ZINC000005649505
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).