BioLiP

PDB

BioLiP

PDB CCD ID:

A1LYU

Number of entries in BioLiP:

Chemical formula:

C25 H18 O4

InChI:

InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1

InChIKey:

YVAAPHRLEUACEA-QHCPKHFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
OpenEye OEToolkits 2.0.7	CC1=CC(=O)Oc2c1ccc3c2c(c(o3)C(c4ccccc4)O)c5ccccc5
CACTVS 3.385	CC1=CC(=O)Oc2c1ccc3oc([C@@H](O)c4ccccc4)c(c5ccccc5)c23
OpenEye OEToolkits 2.0.7	CC1=CC(=O)Oc2c1ccc3c2c(c(o3)[C@H](c4ccccc4)O)c5ccccc5

Name:

4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-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).