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ChEBI
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CHEBI:66602 - lychnostatin 2
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ChEBI Name
lychnostatin 2
ChEBI ID
CHEBI:66602
Definition
A germacranolide isolated from
Lychnophora antillana
and has been shown to exhibit antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H28O7
Net Charge
0
Average Mass
392.44280
Monoisotopic Mass
392.18350
InChI
InChI=1S/C21H28O7/c1-
11(2)
19(24)
27-
16-
10-
21(6,28-
14(5)
22)
17(23)
8-
7-
12(3)
9-
15-
18(16)
13(4)
20(25)
26-
15/h12,15-
16,18H,1,4,7-
10H2,2-
3,5-
6H3/t12-
,15+,16-
,18-
,21+/m0/s1
InChIKey
HBRKQMNFEIZZOU-AGKHZPTMSA-N
SMILES
[H][C@@]12C[C@@H](C)CCC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@]1([H])C(=C)C(=O)O2)OC(C)=O
Metabolite of Species
Details
Lychnophora antillana
(NCBI:txid41601)
Found in leaf
(BTO:0000713)
. See:
PubMed
Lychnophora antillana
(NCBI:txid41601)
Found in stem
(BTO:0001300)
. 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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
lychnostatin 2 (
CHEBI:66602
)
has role
antineoplastic agent (
CHEBI:35610
)
lychnostatin 2 (
CHEBI:66602
)
has role
metabolite (
CHEBI:25212
)
lychnostatin 2 (
CHEBI:66602
)
is a
acetate ester (
CHEBI:47622
)
lychnostatin 2 (
CHEBI:66602
)
is a
cyclic ketone (
CHEBI:3992
)
lychnostatin 2 (
CHEBI:66602
)
is a
germacranolide (
CHEBI:73011
)
IUPAC Name
(3a
S
,4
S
,6
R
,10
S
,11a
R
)-
6-
(acetyloxy)-
6,10-
dimethyl-
3-
methylidene-
2,7-
dioxododecahydrocyclodeca[
b
]furan-
4-
yl 2-
methylprop-
2-
enoate
Registry Number
Type
Source
128700-84-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
2380713
PubMed citation
Europe PMC
Last Modified
26 March 2013