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

OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](OC(=O)C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5)[C@@H](O)[C@@H]1O

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 8504
SNU-16 1 Target ID: CHEMBL613529 Sources: https://www.caymanchem.com/pdfs/24914.pdf	Inhibitor 8504		12.4 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:10:03 GMT 2025` Edited by `admin` on `Mon Mar 31 19:10:03 GMT 2025`
Record UNII	5L82GT5I0W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMAROGENTIN [MI]

Preferred Name

English

AMAROGENTIN

Common Name

English

Code System Code Type Description

CHEBI

2622