AMAROGENTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30O13
Molecular Weight	586.5407
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3(O[C@@H]1OC=C2C(=O)OCC[C@@]2([H])[C@H]1C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C4=C(O)C=C(O)C=C4C5=CC=CC(O)=C5

InChI

InChIKey=DBOVHQOUSDWAPQ-WTONXPSSSA-N

InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H30O13
Molecular Weight	586.5407
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Myeloperoxidase 6 Target ID: CHEMBL2439 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22521634	Inhibitor 8297
SNU-16 1 Target ID: CHEMBL613529 Sources: https://www.caymanchem.com/pdfs/24914.pdf	Inhibitor 8297		12.4 µM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:18:23 GMT 2023` Edited by `admin` on `Fri Dec 15 18:18:23 GMT 2023`
Record UNII	5L82GT5I0W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AMAROGENTIN

Common Name

English

AMAROGENTIN [MI]

Common Name

English

Code System Code Type Description

CHEBI

2622