BioLiP

PDB

BioLiP

PDB CCD ID:

HVJ

Number of entries in BioLiP:

Chemical formula:

C17 H22 O2

InChI:

InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1

InChIKey:

KDZOUSULXZNDJH-LSDHHAIUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=C)[C@@H]1CCC(=C[C@H]1c2c(C)cc(O)cc2O)C
CACTVS 3.385	CC(=C)[CH]1CCC(=C[CH]1c2c(C)cc(O)cc2O)C
ACDLabs 12.01	c1(C)c(c(O)cc(c1)O)C2C(C(/C)=C)CCC(C)=C2
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1C2C=C(CCC2C(=C)C)C)O)O
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O

Name:

(1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol

ChEMBL:

CHEMBL3402654

ZINC:

ZINC000035636061

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).