BioLiP

PDB

BioLiP

PDB CCD ID:

7FZ

Number of entries in BioLiP:

Chemical formula:

C17 H18 O2

InChI:

InChI=1S/C17H18O2/c1-10-7-14(8-11(2)17(10)19)12-3-5-15-13(9-12)4-6-16(15)18/h3,5,7-9,16,18-19H,4,6H2,1-2H3/t16-/m0/s1

InChIKey:

UCXWFKNKSWDWCD-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(cc(C)c1O)c2ccc3[CH](O)CCc3c2
ACDLabs 12.01	Oc1c(cc(cc1C)c3cc2CCC(c2cc3)O)C
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1O)C)c2ccc3c(c2)CCC3O
OpenEye OEToolkits 2.0.6	Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O
CACTVS 3.385	Cc1cc(cc(C)c1O)c2ccc3[C@@H](O)CCc3c2

Name:

(1S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol

ZINC:

ZINC000584905448

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).