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ChEBI
> Main
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.
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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.
View more via ChEBI Ontology
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
Type
Source
18778099
PubMed citation
Europe PMC
Last Modified
30 March 2015