BioLiP

PDB

BioLiP

PDB CCD ID:

7SI

Number of entries in BioLiP:

Chemical formula:

C11 H12 O2

InChI:

InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2/t6-,7+

InChIKey:

JYHNNCBQCSLFQM-KNVOCYPGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O
OpenEye OEToolkits 1.7.6	c1cc(c2c(c1O)C3CCC2C3)O
CACTVS 3.385	Oc1ccc(O)c2[C@H]3CC[C@H](C3)c12
ACDLabs 12.01	C1CC2CC1c3c(O)ccc(O)c23
CACTVS 3.385	Oc1ccc(O)c2[CH]3CC[CH](C3)c12

Name:

(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol

ZINC:

ZINC000012405214

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).