BioLiP

PDB

BioLiP

PDB CCD ID:

6QT

Number of entries in BioLiP:

Chemical formula:

C15 H12 O4

InChI:

InChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-7,15-17H,8H2/t15-/m1/s1

InChIKey:

FTDCCBIDVVGONG-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O
CACTVS 3.385	Oc1cccc(c1)[CH]2CC(=O)c3cc(O)ccc3O2
CACTVS 3.385	Oc1cccc(c1)[C@H]2CC(=O)c3cc(O)ccc3O2
OpenEye OEToolkits 2.0.5	c1cc(cc(c1)O)C2CC(=O)c3cc(ccc3O2)O

Name:

(2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one

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).