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ChEBI
> Main
CHEBI:65960 - gibberosin K
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ChEBI Ontology
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ChEBI Name
gibberosin K
ChEBI ID
CHEBI:65960
Definition
A diterpenoid of the xeniaphyllane type isolated from
Sinularia gibberosa
and has been shown to exhibit antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H30O2
Net Charge
0
Average Mass
302.45100
Monoisotopic Mass
302.22458
InChI
InChI=1S/C20H30O2/c1-
14-
7-
6-
8-
15(2)
16-
13-
20(5,17(16)
10-
9-
14)
18(21)
11-
12-
19(3,4)
22/h7,11-
12,16-
17,22H,2,6,8-
10,13H2,1,3-
5H3/b12-
11+,14-
7+/t16-
,17-
,20-
/m0/s1
InChIKey
HFOYWBKBWBSCMJ-CNEVOPABSA-N
SMILES
[H][C@@]12C[C@](C)(C(=O)\C=C\C(C)(C)O)[C@@]1([H])CC\C(C)=C\CCC2=C
Metabolite of Species
Details
Sinularia gibberosa
(WORMS:288527)
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
gibberosin K (
CHEBI:65960
)
has role
antineoplastic agent (
CHEBI:35610
)
gibberosin K (
CHEBI:65960
)
has role
metabolite (
CHEBI:25212
)
gibberosin K (
CHEBI:65960
)
is a
diterpenoid (
CHEBI:23849
)
gibberosin K (
CHEBI:65960
)
is a
ketone (
CHEBI:17087
)
gibberosin K (
CHEBI:65960
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(2
E
)-
1-
[(1
R
*,5
E
,9
S
*,10
S
*)-
6,10-
dimethyl-
2-
methylidenebicyclo[7.2.0]undec-
5-
en-
10-
yl]-
4-
hydroxy-
4-
methylpent-
2-
en-
1-
one
Synonym
Source
(1
S
*,9
R
*,11
S
*,4
E
,13
E
)-
15-
hydroxyxeniphylla-
4,8(19),13-
trien-
12 one
ChEBI
Manual Xref
Database
23076670
ChemSpider
View more database links
Registry Number
Type
Source
11209790
Reaxys Registry Number
Reaxys
Citation
Type
Source
17917291
PubMed citation
Europe PMC
Last Modified
02 August 2013