ERGOCORNINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H39N5O5
Molecular Weight	561.6719
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N3C(=O)[C@](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)(O[C@@]23O)C(C)C

InChI

InChIKey=UJYGDMFEEDNVBF-OGGGUQDZSA-N

InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H39N5O5
Molecular Weight	561.6719
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17149427 | https://www.ncbi.nlm.nih.gov/pubmed/5089657 | http://www.t3db.ca/toxins/T3D3689

Ergocornine is an ergot alkaloid. Ergocornine can inhibit prolactin release by a direct action on the anterior pituitary. It can modulate activity at both dopamine and serotonin receptors.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
prolactin secretion 1 Target ID: GO:0070459 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5540057 \| https://www.ncbi.nlm.nih.gov/pubmed/5089657	Inhibitor 8297
Serotonin (5-HT) receptor 34 Target ID: CHEMBL2096904 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6164081 \| https://www.ncbi.nlm.nih.gov/pubmed/7700242 \| https://www.ncbi.nlm.nih.gov/pubmed/1173234	Activator 1430
Dopamine receptor 60 Target ID: CHEMBL2096905 Sources: https://www.ncbi.nlm.nih.gov/pubmed/4837435 \| https://www.ncbi.nlm.nih.gov/pubmed/1146654 \| https://www.ncbi.nlm.nih.gov/pubmed/6769681	Activator 1430

Conditions

Condition	Modality	Targets	Highest Phase	Product
Breast cancer 434 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5560385	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Luteal 3beta-hydroxysteroid dehydrogenase and 20alpha-hydroxysteroid dehydrogenase activities in the rat corpus luteum of pseudopregnancy: effect of the deciduoma reaction.	2004 May 12	15140254
Electrospray[+] tandem quadrupole mass spectrometry in the elucidation of ergot alkaloids chromatographed by HPLC: screening of grass or forage samples for novel toxic compounds.	2005 Nov	16278935
Pharmacological characterization of the ergot alkaloid receptor in the salivary gland of the ixodid tick Amblyomma hebraeum.	2006 Jul	16788036
Quantitative determination of five ergot alkaloids in rye flour by liquid chromatography-electrospray ionisation tandem mass spectrometry.	2006 May 5	16519893
A comparative study of topical natural ergot alkaloids on the intraocular pressure and aqueous humor dynamics in oclular normotensive and alpha-chymotrypsin-induced ocular hypertensive rabbits.	2007 Oct	17505840
Ergot alkaloids in rye flour determined by solid-phase cation-exchange and high-pressure liquid chromatography with fluorescence detection.	2008 Mar	18311624
Simultaneous determination of six major ergot alkaloids and their epimers in cereals and foodstuffs by LC-MS-MS.	2008 May	18415090

Patents

Sample Use Guides

In Vivo Use Guide

4 different ways of ergocornine administration: 2, 8, 10 mg for 5 days and 20 mg for 10 days. Each of these treatments started from the second day of high temperature phase.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:45:37 UTC 2023` Edited by `admin` on `Fri Dec 15 19:45:37 UTC 2023`
Record UNII	7W36B25464
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERGOCORNINE

Common Name

English

NSC-407316

Code

English

ERGOCORNIN

Common Name

English

ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2',5'-BIS(1-METHYLETHYL)-, (5'-ALPHA)-

Common Name

English

ERGOCORNINE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

73453