SEQ2FUN

BioLiP

PDB CCD ID: 8CB
Number of entries in BioLiP: 3
Chemical formula: C17 H22 O2
InChI: InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1
InChIKey: GKVOVXWEBSQJPA-UONOGXRCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C
OpenEye OEToolkits 2.0.6Cc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)C)O
CACTVS 3.385CC(=C)[CH]1CCC(=C[CH]1c2c(O)cc(C)cc2O)C
CACTVS 3.385CC(=C)[C@@H]1CCC(=C[C@H]1c2c(O)cc(C)cc2O)C
OpenEye OEToolkits 2.0.6Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
Name:(1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol;
cannabidiorcin;
CBDO
ZINC: ZINC000013382979
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).