BioLiP

PDB

BioLiP

PDB CCD ID:

A1HZ2

Number of entries in BioLiP:

Chemical formula:

C16 H18 N2 O6

InChI:

InChI=1S/C16H18N2O6/c1-21-11-5-4-9(13(22-2)14(11)23-3)10-8-16(24-18-10)7-6-12(19)17-15(16)20/h4-5H,6-8H2,1-3H3,(H,17,19,20)/t16-/m0/s1

InChIKey:

RKTBPSUWUCWUFM-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC
CACTVS 3.385	COc1ccc(C2=NO[C]3(CCC(=O)NC3=O)C2)c(OC)c1OC
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1OC)OC)C2=NO[C@]3(C2)CCC(=O)NC3=O
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1OC)OC)C2=NOC3(C2)CCC(=O)NC3=O

Name:

(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

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).