SKIMMIANINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H13NO4
Molecular Weight	259.2573
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C2=C(C=C1)C(OC)=C3C=COC3=N2

InChI

InChIKey=SLSIBLKBHNKZTB-UHFFFAOYSA-N

InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H13NO4
Molecular Weight	259.2573
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18080680

Skimmianine is a newly discovered strong acetylcholinesterase (AChE) inhibitor, which can be used as promising candidate for L. braziliensis due to its potent immunomodulatory activity. In addition, because skimmianine has multi-targeted mechanism of action, it can be suggested for therapeutic efficacy in various inflammatory diseases.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 207 Target ID: CHEMBL220 Sources: DOI: 10.1007/s00044-011-9581-9 Retrived from \| http://link.springer.com/article/10.1007/s00044-011-9581-9	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Leishmaniasis 20 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21810308	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

at a dose of 5.0 mg/kg body weight

Route of Administration: Unknown

In Vitro Use Guide

The in vitro 50% inhibitory concentrations of y-fagarine, acidified extract, ethanol extract, skimmianine and alkaloid extract against promastigotes were determined as 8.7, 9.4, 10.9, 25.7 and 25.8 microg/mL respectively.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:15:39 GMT 2023` Edited by `admin` on `Fri Dec 15 20:15:39 GMT 2023`
Record UNII	4E1KLC380B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SKIMMIANINE

Common Name

English

NSC-217986

Code

English

SKIMMIAMINE

Common Name

English

SKIMMIANINE [MI]

Common Name

English

SKIMMIANIN

Common Name

English

CHLOROXYLONINE

Common Name

English

NSC-94654

Code

English

FURO(2,3-B)QUINOLINE, 4,7,8-TRIMETHOXY-

Systematic Name

English

.BETA.-FAGARINE

Common Name

English

Code System Code Type Description

MERCK INDEX

m9969