CAS 564-36-3: Ergocornine
Description:Ergocornine is a naturally occurring alkaloid derived from the ergot fungus, specifically from the species Claviceps purpurea. It is part of the larger group of ergot alkaloids, which are known for their complex structures and diverse biological activities. Ergocornine is characterized by its tetracyclic structure, which includes a fused indole and isoquinoline framework. This compound exhibits various pharmacological properties, including vasoconstriction and effects on neurotransmitter systems, particularly in relation to serotonin and dopamine. Ergocornine has been studied for its potential therapeutic applications, including its role in treating migraines and other vascular disorders. However, it is also associated with adverse effects, particularly when derived from contaminated grains, leading to ergotism. The compound is typically found in a crystalline form and is soluble in organic solvents. Its chemical properties and biological activities make it a subject of interest in both pharmacology and toxicology. As with many alkaloids, safety and dosage considerations are crucial when exploring its applications.
Formula:C31H39N5O5
InChI: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
InChI key:InChIKey=UJYGDMFEEDNVBF-OGGGUQDZSA-N
SMILES:O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)C(C)C)C(C)C)C4C=C5C=6C=CC=C7NC=C(C76)CC5N(C)C4
- Synonyms:
- Ergocornine
- Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′,5′-bis(1-methylethyl)-, (5′α)-
- Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
- 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
- (5′α)-12′-Hydroxy-2′,5′-bis(1-methylethyl)ergotaman-3′,6′,18-trione
