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ChEBI
> Main
CHEBI:8041 - phantomolin
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ChEBI Ontology
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ChEBI Name
phantomolin
ChEBI ID
CHEBI:8041
Definition
A germacranolide isolated from
Elephantopus mollis
and has been shown to exhibit antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Formula
C21H26O6
Net Charge
0
Average Mass
374.42750
Monoisotopic Mass
374.17294
InChI
InChI=1S/C21H26O6/c1-
7-
24-
21-
9-
12(4)
8-
15(25-
19(22)
11(2)
3)
16-
14(6)
20(23)
26-
18(16)
17(27-
21)
13(5)
10-
21/h9-
10,15-
18H,2,6-
8H2,1,3-
5H3/b12-
9-
/t15-
,16+,17-
,18-
,21-
/m0/s1
InChIKey
YNGLXZUKGYZCFL-YUZMFRNZSA-N
SMILES
[H][C@@]12O[C@@](OCC)(\C=C(C)/C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C
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
phantomolin (
CHEBI:8041
)
has role
antineoplastic agent (
CHEBI:35610
)
phantomolin (
CHEBI:8041
)
has role
metabolite (
CHEBI:25212
)
phantomolin (
CHEBI:8041
)
is a
γ-lactone (
CHEBI:37581
)
phantomolin (
CHEBI:8041
)
is a
cyclic ether (
CHEBI:37407
)
phantomolin (
CHEBI:8041
)
is a
enoate ester (
CHEBI:51702
)
phantomolin (
CHEBI:8041
)
is a
germacranolide (
CHEBI:73011
)
phantomolin (
CHEBI:8041
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
IUPAC Name
(3a
R
,4
S
,6
Z
,8
S
,11
S
,11a
S
)-
8-
ethoxy-
6,10-
dimethyl-
3-
methylidene-
2-
oxo-
2,3,3a,4,5,8,11,11a-
octahydro-
8,11-
epoxycyclodeca[
b
]furan-
4-
yl 2-
methylprop-
2-
enoate
Synonym
Source
Phantomolin
KEGG COMPOUND
Manual Xrefs
Databases
C00003348
KNApSAcK
C09527
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1663128
Reaxys Registry Number
Reaxys
55306-08-6
CAS Registry Number
KEGG COMPOUND
55306-08-6
CAS Registry Number
ChemIDplus
Citation
Type
Source
7411406
PubMed citation
Europe PMC
Last Modified
28 July 2014