BioLiP

PDB

BioLiP

PDB CCD ID:

08V

Number of entries in BioLiP:

Chemical formula:

C21 H25 N O4

InChI:

InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1

InChIKey:

RUZIUYOSRDWYQF-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385	COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
OpenEye OEToolkits 2.0.7	CN1CCc2cc(c(c-3c2C1Cc4c3cc(c(c4)OC)OC)OC)OC
CACTVS 3.385	COc1cc2C[CH]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
ACDLabs 12.01	COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC

Name:

glaucine;
(6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

ChEMBL:

CHEMBL228082

ZINC:

ZINC000000607911

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).