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CHEBI:65418 - aplysinoplide A
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ChEBI Name
aplysinoplide A
ChEBI ID
CHEBI:65418
Definition
A sesterterpenoid isolated from the marine sponge
Aplysinopsis digitata
that exhibits cytotoxicity against P388 mouse leukemia cells.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H36O4
Net Charge
0
Average Mass
400.55090
Monoisotopic Mass
400.26136
InChI
InChI=1S/C25H36O4/c1-
18(13-
14-
22-
19(2)
9-
7-
15-
25(22,3)
4)
8-
5-
10-
20(17-
26)
11-
6-
12-
21-
16-
23(27)
29-
24(21)
28/h6,8,11-
12,16,24,26,28H,5,7,9-
10,13-
15,17H2,1-
4H3/b12-
6+,18-
8+,20-
11+
InChIKey
IXZLFRIHNOJYGA-QGBXNASSSA-N
SMILES
C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(CO)=C/C=C/C1=CC(=O)OC1O
Metabolite of Species
Details
Aplysinopsis digitata
(WORMS:190040)
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
aplysinoplide A (
CHEBI:65418
)
has role
antineoplastic agent (
CHEBI:35610
)
aplysinoplide A (
CHEBI:65418
)
has role
metabolite (
CHEBI:25212
)
aplysinoplide A (
CHEBI:65418
)
is a
butenolide (
CHEBI:50523
)
aplysinoplide A (
CHEBI:65418
)
is a
primary alcohol (
CHEBI:15734
)
aplysinoplide A (
CHEBI:65418
)
is a
secondary alcohol (
CHEBI:35681
)
aplysinoplide A (
CHEBI:65418
)
is a
sesterterpenoid (
CHEBI:26660
)
IUPAC Name
5-
hydroxy-
4-
[(1
E
,3
E
,7
E
)-
4-
(hydroxymethyl)-
8-
methyl-
10-
(2,6,6-
trimethylcyclohex-
1-
en-
1-
yl)deca-
1,3,7-
trien-
1-
yl]furan-
2(5
H
)-
one
Registry Number
Type
Source
18836364
Reaxys Registry Number
Reaxys
Citation
Type
Source
18461996
PubMed citation
Europe PMC
Last Modified
07 November 2012