CHEBI:59919 - dihydro-α-ergocryptine

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ChEBI Name dihydro-α-ergocryptine
ChEBI ID CHEBI:59919
ChEBI ASCII Name dihydro-alpha-ergocryptine
Definition α-Ergocryptine 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 C32H43N5O5
Net Charge 0
Average Mass 577.71430
Monoisotopic Mass 577.326
InChI InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
InChIKey PBUNVLRHZGSROC-VTIMJTGVSA-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](CC(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 dihydro-α-ergocryptine (CHEBI:59919) has functional parent α-ergocryptine (CHEBI:10276)
dihydro-α-ergocryptine (CHEBI:59919) has parent hydride ergotaman (CHEBI:36185)
dihydro-α-ergocryptine (CHEBI:59919) is a ergot alkaloid (CHEBI:23943)
Incoming dihydro-α-ergocryptine mesylate (CHEBI:31487) has part dihydro-α-ergocryptine (CHEBI:59919)
IUPAC Name
(10αH)-12'-hydroxy-5'α-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
Synonyms Sources
12'-hydroxy-2'-(1-methylethyl)-5'α-(2-methylpropyl)-9,10α-dihydroergotaman-3',6',18-trione ChemIDplus
9,10-dihydro-α-ergocryptine ChEBI
α-dihydroergocryptine ChEBI
Manual Xref Database
4420 DrugCentral
View more database links
Registry Numbers Types Sources
102178 Beilstein Registry Number Beilstein
25447-66-9 CAS Registry Number ChemIDplus
773588 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15553103 PubMed citation Europe PMC
1903079 PubMed citation Europe PMC
8748631 PubMed citation Europe PMC
Last Modified
22 February 2017