RUTARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24O10
Molecular Weight	424.3986
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(O)[C@@H]1CC2=C(O1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C4OC(=O)C=CC4=C2

InChI

InChIKey=JWWFVRMFYKPZNE-VVIWCBLHSA-N

InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24O10
Molecular Weight	424.3986
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.hmdb.ca/metabolites/HMDB30884 | http://pubs.rsc.org/en/content/articlelanding/1989/np/np9890600591#!divAbstract | https://www.ncbi.nlm.nih.gov/pubmed/21985060

Rutarin is a coumarin glycoside. Rutarin is found in herbs and spices. Rutarin has antibiotic activity. Rutarin inhibited Plasmodium falciparum with IC50 value of 88 ug/mL.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Plasmodium falciparum 74 Target ID: CHEMBL364 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21985060	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Plasmodium falciparum malaria 63 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21985060	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Structures of linear furano- and simple-coumarin glycosides of Bai-Hua Qian-Hu.	1989 Feb	17262257
Structure and in vitro antiparasitic activity of constituents of Citropsis articulata root bark.	2011 Oct 28	21985060
[Chemical constituents from roots of Peucedanum praeruptorum (V)].	2012 Dec	23477142

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Rutarin inhibited Plasmodium falciparum with IC50 value of 88 ug/mL.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:27:50 GMT 2023` Edited by `admin` on `Sat Dec 16 08:27:50 GMT 2023`
Record UNII	NBL6IC1992
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUTARIN

Common Name

English

7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, S-

Systematic Name

English

Code System Code Type Description

SMS_ID

100000126272