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> Main
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.
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Formula
C32H43N5O5
Net Charge
0
Average Mass
577.71430
Monoisotopic Mass
577.32642
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
(10α
H
)-
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
Types
Sources
15553103
PubMed citation
Europe PMC
1903079
PubMed citation
Europe PMC
8748631
PubMed citation
Europe PMC
Last Modified
22 February 2017