CHEBI:66123 - jerantinine E

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ChEBI Name jerantinine E
ChEBI ID CHEBI:66123
Definition An indole alkaloid that is the 14-15-dihydro derivative of jerantinine A. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H28N2O4
Net Charge 0
Average Mass 384.46870
Monoisotopic Mass 384.20491
InChI InChI=1S/C22H28N2O4/c1-4-21-6-5-8-24-9-7-22(20(21)24)14-10-16(25)17(27-2)11-15(14)23-18(22)13(12-21)19(26)28-3/h10-11,20,23,25H,4-9,12H2,1-3H3/t20-,21-,22-/m0/s1
InChIKey ZURZSBHWLYFFBR-FKBYEOEOSA-N
SMILES [H][C@]12N3CCC[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(OC)c(O)cc4[C@]21CC3
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.
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ChEBI Ontology
Outgoing jerantinine E (CHEBI:66123) has functional parent jerantinine A (CHEBI:66119)
jerantinine E (CHEBI:66123) has role antineoplastic agent (CHEBI:35610)
jerantinine E (CHEBI:66123) has role metabolite (CHEBI:25212)
jerantinine E (CHEBI:66123) is a alkaloid ester (CHEBI:38481)
jerantinine E (CHEBI:66123) is a aromatic ether (CHEBI:35618)
jerantinine E (CHEBI:66123) is a indole alkaloid (CHEBI:38958)
jerantinine E (CHEBI:66123) is a methyl ester (CHEBI:25248)
jerantinine E (CHEBI:66123) is a organic heteropentacyclic compound (CHEBI:38164)
jerantinine E (CHEBI:66123) is a phenols (CHEBI:33853)
IUPAC Name
methyl (5α,12β,19α)-15-hydroxy-16-methoxy-2,3-didehydroaspidospermidine-3-carboxylate
Registry Number Type Source
19172523 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18778099 PubMed citation Europe PMC
Last Modified
30 March 2015