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ChEBI
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CHEBI:66422 - myriaporone 3
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ChEBI Ontology
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ChEBI Name
myriaporone 3
ChEBI ID
CHEBI:66422
Definition
A member of the class of oxanes isolated from the Mediterranean bryozoan
Myriapora truncata
and has been shown to exhibit inhibitory activity against murine leukemia cells.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H32O7
Net Charge
0
Average Mass
372.45320
Monoisotopic Mass
372.21480
InChI
InChI=1S/C19H32O7/c1-
5-
7-
11(3)
17-
18(4,26-
17)
16(23)
12(9-
20)
15(22)
13-
10-
25-
19(24,6-
2)
8-
14(13)
21/h5,7,11-
14,16-
17,20-
21,23-
24H,6,8-
10H2,1-
4H3/b7-
5-
/t11-
,12-
,13+,14-
,16-
,17+,18+,19?/m0/s1
InChIKey
VJPJOSSWTOMULO-UGGJLBIYSA-N
SMILES
[H][C@]1(COC(O)(CC)C[C@@H]1O)C(=O)[C@H](CO)[C@H](O)[C@@]1(C)O[C@]1([H])[C@@H](C)\C=C/C
Metabolite of Species
Details
Myriapora truncata
(WORMS:111435)
Myriaporone 3(hemiketal) and Myriaporone 4(hydroxy ketone)s are mixture of isomer with ratio 3:1 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
myriaporone 3 (
CHEBI:66422
)
has functional parent
polyketide (
CHEBI:26188
)
myriaporone 3 (
CHEBI:66422
)
has role
antineoplastic agent (
CHEBI:35610
)
myriaporone 3 (
CHEBI:66422
)
has role
metabolite (
CHEBI:25212
)
myriaporone 3 (
CHEBI:66422
)
is a
β-hydroxy ketone (
CHEBI:55380
)
myriaporone 3 (
CHEBI:66422
)
is a
epoxide (
CHEBI:32955
)
myriaporone 3 (
CHEBI:66422
)
is a
lactol (
CHEBI:38131
)
myriaporone 3 (
CHEBI:66422
)
is a
oxanes (
CHEBI:46942
)
myriaporone 3 (
CHEBI:66422
)
is a
primary alcohol (
CHEBI:15734
)
myriaporone 3 (
CHEBI:66422
)
is a
secondary alcohol (
CHEBI:35681
)
Registry Number
Type
Source
9732280
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16880957
PubMed citation
Europe PMC
17284072
PubMed citation
Europe PMC
23303710
PubMed citation
Europe PMC
Last Modified
12 April 2013