BioLiP

PDB

BioLiP

PDB CCD ID:

A1AVI

Number of entries in BioLiP:

Chemical formula:

C13 H8 O6

InChI:

InChI=1S/C13H8O6/c14-8-1-5-6-2-9(15)11(17)4-12(6)19-13(18)7(5)3-10(8)16/h1-4,14-17H

InChIKey:

OSFIGXJLZQHGJN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c-2c(cc(c1O)O)C(=O)Oc3c2cc(c(c3)O)O
CACTVS 3.385	Oc1cc2OC(=O)c3cc(O)c(O)cc3c2cc1O
ACDLabs 12.01	Oc1cc2c3cc(O)c(O)cc3OC(=O)c2cc1O

Name:

cladophorol A;
2,3,8,9-tetrahydroxy-6H-dibenzo[b,d]pyran-6-one

ChEMBL:

CHEMBL266458

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).