CHEBI:9036 - sarpagine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
more structures >>
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