BioLiP

PDB

BioLiP

PDB CCD ID:

OX1

Number of entries in BioLiP:

Chemical formula:

C18 H16 O4

InChI:

InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+

InChIKey:

IOWYALZFEJOVHO-HDICACEKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O
CACTVS 3.341	C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24
CACTVS 3.341	C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4ccccc24
ACDLabs 10.04	O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C

Name:

[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE

DrugBank:

DB08332

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).