BioLiP

PDB

BioLiP

PDB CCD ID:

A1L61

Number of entries in BioLiP:

Chemical formula:

C24 H24 O6

InChI:

InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3

InChIKey:

HQWHKELJHUFLGD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(O)c3C(=O)c2c1CC=C(C)C
OpenEye OEToolkits 2.0.7	CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C

Name:

8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-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).