CHEBI:135927 - epicriptine

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ChEBI Name epicriptine
ChEBI ID CHEBI:135927
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H43N5O5
Net Charge 0
Average Mass 577.716
Monoisotopic Mass 577.32642
InChI InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1
InChIKey SBFXHXZNBNFPHV-PXXBSISHSA-N
SMILES O[C@]12N(C([C@@](NC(=O)[C@@H]3C[C@@]4(C5=C6C(=CNC6=CC=C5)C[C@@]4([H])N(C)C3)[H])(C(C)C)O1)=O)[C@@]([C@@H](CC)C)(C(=O)N7CCC[C@@]27[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing epicriptine (CHEBI:135927) is a peptide ergot alkaloid (CHEBI:25904)
Synonyms Sources
beta-dihydroergocryptine DrugCentral
Dihydro-.beta.-ergocryptine mesilate DrugCentral
Dihydro-.beta.-ergocryptine mesylate DrugCentral
dihydro-beta-ergocryptin DrugCentral
dihydro-beta-ergocryptine DrugCentral
Manual Xref Database
4148 DrugCentral
View more database links
Registry Number Type Source
88660-47-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017