CHEBI:59909 - dihydroergocornine

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ChEBI Name dihydroergocornine
ChEBI ID CHEBI:59909
Definition Ergocornine in which a single bond replaces the double bond between positions 9 and 10.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H41N5O5
Net Charge 0
Average Mass 563.68770
Monoisotopic Mass 563.311
InChI InChI=1S/C31H41N5O5/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/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1
InChIKey SEALOBQTUQIVGU-QNIJNHAOSA-N
SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
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 dihydroergocornine (CHEBI:59909) has functional parent ergocornine (CHEBI:4820)
dihydroergocornine (CHEBI:59909) has parent hydride ergotaman (CHEBI:36185)
dihydroergocornine (CHEBI:59909) is a ergot alkaloid (CHEBI:23943)
Incoming dihydroergocornine mesylate (CHEBI:34502) has part dihydroergocornine (CHEBI:59909)
IUPAC Name
(10αH)-12'-hydroxy-3',6',18-trioxo-2',5'α-di(propan-2-yl)-9,10-dihydroergotaman
Synonym Source
9,10-dihydroergocornine ChemIDplus
Manual Xref Database
3184 DrugCentral
View more database links
Registry Numbers Types Sources
102148 Beilstein Registry Number Beilstein
25447-65-8 CAS Registry Number ChemIDplus
Last Modified
22 February 2017