CHEBI:9036 - sarpagine

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ChEBI Name sarpagine
ChEBI ID CHEBI:9036
Definition An indole alkaloid that is sarpagan bearing hydroxy groups at positions 10 and 17.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB82709002, ChemicalBook:CB6270450, eMolecules:31227816, ZINC000019632628
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Formula C19H22N2O2
Net Charge 0
Average Mass 310.39020
Monoisotopic Mass 310.16813
InChI InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17-,18-/m0/s1
InChIKey VTVQHYQGTTVKDE-CCUKBNNFSA-N
SMILES [H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(CO)[C@]2([H])Cc1c3[nH]c2ccc(O)cc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 sarpagine (CHEBI:9036) has parent hydride sarpagan (CHEBI:36312)
sarpagine (CHEBI:9036) is a indole alkaloid (CHEBI:38958)
sarpagine (CHEBI:9036) is a phenols (CHEBI:33853)
sarpagine (CHEBI:9036) is a primary alcohol (CHEBI:15734)
sarpagine (CHEBI:9036) is a secondary amino compound (CHEBI:50995)
sarpagine (CHEBI:9036) is a tertiary amino compound (CHEBI:50996)
Incoming polyneuridine aldehyde (CHEBI:16829) has functional parent sarpagine (CHEBI:9036)
IUPAC Name
sarpagan-10,17-diol
Synonyms Sources
10,17-sarpagandiol ChemIDplus
raupin ChemIDplus
sarpagine UniProt
Sarpagine KEGG COMPOUND
Manual Xrefs Databases
C00001767 KNApSAcK
C09239 KEGG COMPOUND
CPD-4243 MetaCyc
View more database links
Registry Numbers Types Sources
46792 Reaxys Registry Number Reaxys
482-68-8 CAS Registry Number ChemIDplus
Last Modified
30 September 2016