BioLiP

PDB

BioLiP

PDB CCD ID:

Q0O

Number of entries in BioLiP:

Chemical formula:

C19 H14 O3

InChI:

InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1

InChIKey:

ZCHUYZRQWDZXJO-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3ccccc3C2=C[C@@H]4CC(=CC(=O)O4)O
CACTVS 3.385	OC1=CC(=O)O[CH](C1)C=C2c3ccccc3c4ccccc24
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)-c3ccccc3C2=CC4CC(=CC(=O)O4)O
CACTVS 3.385	OC1=CC(=O)O[C@@H](C1)C=C2c3ccccc3c4ccccc24
ACDLabs 12.01	O=C1C=C(O)CC(/C=C2\c3ccccc3c3ccccc23)O1

Name:

(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-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).