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ChEBI
> Main
CHEBI:66121 - jerantinine C
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ChEBI Name
jerantinine C
ChEBI ID
CHEBI:66121
Definition
An indole alkaloid that is jerantinine A substituted with an oxo group at position 13. 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
C22H24N2O5
Net Charge
0
Average Mass
396.43640
Monoisotopic Mass
396.16852
InChI
InChI=1S/C22H24N2O5/c1-
4-
21-
6-
5-
17(26)
24-
8-
7-
22(20(21)
24)
13-
9-
15(25)
16(28-
2)
10-
14(13)
23-
18(22)
12(11-
21)
19(27)
29-
3/h5-
6,9-
10,20,23,25H,4,7-
8,11H2,1-
3H3/t20-
,21-
,22-
/m0/s1
InChIKey
AMYRFECRZHSHRT-FKBYEOEOSA-N
SMILES
[H][C@@]12N3CC[C@]11C(Nc4cc(OC)c(O)cc14)=C(C[C@]2(CC)C=CC3=O)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 C (
CHEBI:66121
)
has functional parent
jerantinine A (
CHEBI:66119
)
jerantinine C (
CHEBI:66121
)
has role
antineoplastic agent (
CHEBI:35610
)
jerantinine C (
CHEBI:66121
)
has role
metabolite (
CHEBI:25212
)
jerantinine C (
CHEBI:66121
)
is a
alkaloid ester (
CHEBI:38481
)
jerantinine C (
CHEBI:66121
)
is a
aromatic ether (
CHEBI:35618
)
jerantinine C (
CHEBI:66121
)
is a
indole alkaloid (
CHEBI:38958
)
jerantinine C (
CHEBI:66121
)
is a
lactam (
CHEBI:24995
)
jerantinine C (
CHEBI:66121
)
is a
methyl ester (
CHEBI:25248
)
jerantinine C (
CHEBI:66121
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
jerantinine C (
CHEBI:66121
)
is a
phenols (
CHEBI:33853
)
Incoming
jerantinine D (
CHEBI:66122
)
has functional parent
jerantinine C (
CHEBI:66121
)
IUPAC Name
methyl (5α,12β,19α)-
15-
hydroxy-
16-
methoxy-
8-
oxo-
2,3,6,7-
tetradehydroaspidospermidine-
3-
carboxylate
Registry Number
Type
Source
19172520
Reaxys Registry Number
Reaxys
Citation
Type
Source
18778099
PubMed citation
Europe PMC
Last Modified
30 March 2015