BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8J

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O3

InChI:

InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1

InChIKey:

LVVKXRQZSRUVPY-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1O)C(NCC2)Cc3ccc(cc3)O
CACTVS 3.385	COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O
OpenEye OEToolkits 2.0.7	COc1cc2c(cc1O)[C@@H](NCC2)Cc3ccc(cc3)O
CACTVS 3.385	COc1cc2CCN[CH](Cc3ccc(O)cc3)c2cc1O

Name:

(1~{S})-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;
Coclaurine

ChEMBL:

CHEMBL446211

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).