CHEBI:66124 - jerantinine F

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ChEBI Name jerantinine F
ChEBI ID CHEBI:66124
Definition An indole alkaloid isolated from Tabernaemontana corymbosa, and has been shown to exhibit cytotoxicity against human KB cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O5
Net Charge 0
Average Mass 398.45220
Monoisotopic Mass 398.18417
InChI InChI=1S/C22H26N2O5/c1-27-16-10-14-13(9-15(16)25)22-4-7-24-6-3-17-21(20(22)24,5-8-29-17)11-12(18(22)23-14)19(26)28-2/h9-10,17,20,23,25H,3-8,11H2,1-2H3/t17-,20-,21+,22-/m0/s1
InChIKey LZVMXRSCSWSPDH-MVWVFHAYSA-N
SMILES [H][C@]12CCN3CC[C@@]45C(Nc6cc(OC)c(O)cc46)=C(C[C@@]1(CCO2)[C@]35[H])C(=O)OC
Metabolite of Species Details
Tabernaemontana corymbosa (IPNI:82070-1) Found in leaf (BTO:0000713). See: PubMed
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 )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing jerantinine F (CHEBI:66124) has role antineoplastic agent (CHEBI:35610)
jerantinine F (CHEBI:66124) has role metabolite (CHEBI:25212)
jerantinine F (CHEBI:66124) is a alkaloid ester (CHEBI:38481)
jerantinine F (CHEBI:66124) is a aromatic ether (CHEBI:35618)
jerantinine F (CHEBI:66124) is a indole alkaloid (CHEBI:38958)
jerantinine F (CHEBI:66124) is a methyl ester (CHEBI:25248)
jerantinine F (CHEBI:66124) is a organic heterohexacyclic compound (CHEBI:51914)
jerantinine F (CHEBI:66124) is a phenols (CHEBI:33853)
IUPAC Name
methyl (5α,6α,12β,19α)-15-hydroxy-16-methoxy-2,3-didehydro-6,21-epoxyaspidospermidine-3-carboxylate
Registry Number Type Source
19172525 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18778099 PubMed citation Europe PMC
Last Modified
30 March 2015