CHEBI:3469 - catharanthine

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ChEBI Name catharanthine
Definition An organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H24N2O2
Net Charge 0
Average Mass 336.428
Monoisotopic Mass 336.18378
InChI InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
SMILES C1[C@@]2(C=C([C@@]3([C@@]1(C(OC)=O)C4=C(C5=C(C=CC=C5)N4)CCN3C2)[H])CC)[H]
Metabolite of Species Details
Catharanthus roseus (NCBI:txid4058) Found in leaf (BTO:0000713). See: PubMed
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 catharanthine (CHEBI:3469) is a alkaloid ester (CHEBI:38481)
catharanthine (CHEBI:3469) is a bridged compound (CHEBI:35990)
catharanthine (CHEBI:3469) is a methyl ester (CHEBI:25248)
catharanthine (CHEBI:3469) is a monoterpenoid indole alkaloid (CHEBI:65323)
catharanthine (CHEBI:3469) is a organic heteropentacyclic compound (CHEBI:38164)
catharanthine (CHEBI:3469) is a tertiary amino compound (CHEBI:50996)
catharanthine (CHEBI:3469) is conjugate base of catharanthine(1+) (CHEBI:142675)
Incoming catharanthine(1+) (CHEBI:142675) is conjugate acid of catharanthine (CHEBI:3469)
methyl (2α,18β)-3,4-didehydroibogamine-18-carboxylate
Manual Xrefs Databases
C00001704 KNApSAcK
Catharanthine Wikipedia
CPD-7859 MetaCyc
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Registry Number Type Source
2468-21-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17909486 PubMed citation Europe PMC
29210342 PubMed citation Europe PMC
29511102 PubMed citation Europe PMC
30034406 PubMed citation Europe PMC
30256480 PubMed citation Europe PMC
Last Modified
06 March 2020