BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8F

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O4

InChI:

InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15-/m0/s1

InChIKey:

MKYLOMHWHWEFCT-AJNGGQMLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC1C=C2C(CC1O)N3Cc4cc5c(cc4C2C3)OCO5
CACTVS 3.385	CO[C@H]1C=C2[C@H](C[C@@H]1O)[N@@]3C[C@H]2c4cc5OCOc5cc4C3
OpenEye OEToolkits 2.0.7	CO[C@H]1C=C2[C@H](C[C@@H]1O)[N@]3Cc4cc5c(cc4[C@@H]2C3)OCO5
CACTVS 3.385	CO[CH]1C=C2[CH](C[CH]1O)[N]3C[CH]2c4cc5OCOc5cc4C3

Name:

(1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol;
Montanine

ChEMBL:

CHEMBL1221863

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).