BioLiP

PDB

BioLiP

PDB CCD ID:

MKS

Number of entries in BioLiP:

Chemical formula:

C24 H26 O6

InChI:

InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3

InChIKey:

GNRIZKKCNOBBMO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1c(O)cc2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)c2c1CC=C(C)C
OpenEye OEToolkits 1.9.2	CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C
ACDLabs 12.01	C\C(=C/Cc3c2C(c1c(c(C\C=C(\C)C)c(O)cc1Oc2cc(O)c3OC)O)=O)C

Name:

1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one;
alpha-Mangostin

ChEMBL:

CHEMBL323197

ZINC:

ZINC000005430812

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).