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CHEBI:66601 - lychnostatin 1
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ChEBI Name
lychnostatin 1
ChEBI ID
CHEBI:66601
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
C21H28O8
Net Charge
0
Average Mass
408.44220
Monoisotopic Mass
408.17842
InChI
InChI=1S/C21H28O8/c1-
10(2)
19(25)
27-
14-
9-
21(6,29-
13(5)
22)
15(23)
8-
7-
11(3)
17(24)
18-
16(14)
12(4)
20(26)
28-
18/h11,14,16-
18,24H,1,4,7-
9H2,2-
3,5-
6H3/t11-
,14-
,16+,17-
,18-
,21+/m0/s1
InChIKey
OLFNVRXCVQOTPN-ZBTOSGMISA-N
SMILES
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@](C)(OC(C)=O)C(=O)CC[C@H](C)[C@@H]2O)OC(=O)C(C)=C
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 1 (
CHEBI:66601
)
has role
antineoplastic agent (
CHEBI:35610
)
lychnostatin 1 (
CHEBI:66601
)
has role
metabolite (
CHEBI:25212
)
lychnostatin 1 (
CHEBI:66601
)
is a
acetate ester (
CHEBI:47622
)
lychnostatin 1 (
CHEBI:66601
)
is a
cyclic ketone (
CHEBI:3992
)
lychnostatin 1 (
CHEBI:66601
)
is a
germacranolide (
CHEBI:73011
)
lychnostatin 1 (
CHEBI:66601
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(3a
R
,4
S
,6
R
,10
S
,11
S
,11a
S
)-
6-
(acetyloxy)-
11-
hydroxy-
6,10-
dimethyl-
3-
methylidene-
2,7-
dioxododecahydrocyclodeca[
b
]furan-
4-
yl 2-
methylprop-
2-
enoate
Synonym
Source
2-
propenoic acid, 2-
methyl-
, (3aR,4S,6R,10S,11S,11aS)-
6-
(acetyloxy)dodecahydro-
11-
hydroxy-
6,10-
dimethyl-
3-
methylene-
2,7-
dioxocyclodeca[b]furan-
4-
yl ester
ChemIDplus
Registry Number
Type
Source
128700-83-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
2380713
PubMed citation
Europe PMC
Last Modified
26 March 2013