BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWJ

Number of entries in BioLiP:

Chemical formula:

C19 H14 O2

InChI:

InChI=1S/C19H14O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-11,18H,12H2/t18-/m1/s1

InChIKey:

XTWSWGKXWMYSLP-GOSISDBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4
CACTVS 3.385	O=C1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CC(=O)c3c4ccccc4ccc3O2

Name:

(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-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).