CHEBI:132665 - stryvomitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name stryvomitine
ChEBI ID CHEBI:132665
Definition A monoterpenoid indole alkaloid with formula C22H22N2O3, isolated from the seeds of Strychnos nux-vomica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C22H22N2O3
Net Charge 0
Average Mass 362.423
Monoisotopic Mass 362.16304
InChI InChI=1S/C22H22N2O3/c1-23-10-9-22-17-4-2-3-5-18(17)24-20(27)7-6-15(21(22)24)16(12-19(22)26)14(13-23)8-11-25/h2-8,16,25H,9-13H2,1H3/b14-8-/t16-,22+/m0/s1
InChIKey RJMLTFLKJJQGIP-ALNHGJLXSA-N
SMILES O=C1[C@]23C=4N(C=5C2=CC=CC5)C(=O)C=CC4[C@@](C1)(/C(/CN(CC3)C)=C\CO)[H]
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: DOI
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 stryvomitine (CHEBI:132665) has role plant metabolite (CHEBI:76924)
stryvomitine (CHEBI:132665) is a cyclic ketone (CHEBI:3992)
stryvomitine (CHEBI:132665) is a monoterpenoid indole alkaloid (CHEBI:65323)
stryvomitine (CHEBI:132665) is a olefinic compound (CHEBI:78840)
stryvomitine (CHEBI:132665) is a organic heteropentacyclic compound (CHEBI:38164)
stryvomitine (CHEBI:132665) is a primary alcohol (CHEBI:15734)
stryvomitine (CHEBI:132665) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
(4S,5E,9aS)-5-(2-hydroxyethylidene)-7-methyl-4,5,6,7,8,9-hexahydro-1H-4,9a-ethano-7,13b-diazacyclonona[1,2,3-jk]fluorene-1,14-dione
Registry Number Type Source
22594453 Reaxys Registry Number Reaxys
Last Modified
10 January 2017
General Comment
2017-01-10 The structure corresponds to that found in http://dx.doi.org/10.1016/j.tet.2012.03.006 and differs from that shown in PubChem (CID 101575886).