RORIDIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38O8
Molecular Weight	514.6072
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12O[C@@H]3C[C@H]4OC(=O)C=C\C=C\[C@@]([H])(OCC\C(C)=C\C(=O)OC[C@@]1(CCC(C)=C2)[C@]4(C)[C@]35CO5)[C@@H](C)O

InChI

InChIKey=KEEQQEKLEZRLDS-FLGSVKSYSA-N

InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38O8
Molecular Weight	514.6072
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
Plasmodium falciparum D6 2 Target ID: CHEMBL2367107 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12494335	Inhibitor 8297

PubMed

Title	Date	PubMed
Trichothecenes produced by Stachybotrys atra from Eastern Europe.	1986 May	3729393
Isolation and characterization of roridin E.	2017 Apr	27737497
Verrucarin A and roridin E produced on spinach by Myrothecium verrucaria under different temperatures and CO(2) levels.	2017 May	28281009
Preparative Separation and Purification of Trichothecene Mycotoxins from the Marine Fungus Fusarium sp. LS68 by High-Speed Countercurrent Chromatography in Stepwise Elution Mode.	2018 Feb 24	29495262

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:04:53 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:53 GMT 2023`
Record UNII	98826FBF79
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RORIDIN E

Common Name

English

RORIDINE E

Common Name

English

VERRUCARIN A, 2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-7'-(1-HYDROXYETHYL)-, (2'E,7'R(R))-

Systematic Name

English

VERRUCARIN A, 2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-7'-((1R)-1-HYDROXYETHYL)-, (2'E,7'R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501034221

Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023

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PUBCHEM

44593339

Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023

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FDA UNII

98826FBF79

Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023

PRIMARY

CAS

16891-85-3

Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023

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