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> Main
CHEBI:65959 - geumonoid
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ChEBI Ontology
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ChEBI Name
geumonoid
ChEBI ID
CHEBI:65959
Definition
A triterpenoid isolated from whole plants of
Geum japonicum
and has been shown to exhibit inhibitory activity against HIV-1 protease.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H46O5
Net Charge
0
Average Mass
486.68320
Monoisotopic Mass
486.33452
InChI
InChI=1S/C30H46O5/c1-
18-
29(7)
17-
21(32)
24(33)
26(3,4)
22(29)
11-
14-
30(18,19(2)
31)
16-
20-
9-
10-
23-
27(5,15-
20)
12-
8-
13-
28(23,6)
25(34)
35/h9-
10,15,18,21-
24,32-
33H,8,11-
14,16-
17H2,1-
7H3,(H,34,35)
/t18-
,21-
,22+,23+,24+,27-
,28-
,29-
,30+/m1/s1
InChIKey
JYKBQWDGVKFSAL-FAPPRUROSA-N
SMILES
[H]
[C@@]
12CC[C@]
(CC3=C[C@@]
4(C)
CCC[C@@]
(C)
(C(O)
=O)
[C@@]
4([H]
)
C=C3)
([C@H]
(C)
[C@@]
1(C)
C[C@@H]
(O)
[C@H]
(O)
C2(C)
C)
C(C)
=O
Metabolite of Species
Details
Geum japonicum
(NCBI:txid321607)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV protease inhibitor
An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
geumonoid (
CHEBI:65959
)
has role
HIV protease inhibitor (
CHEBI:35660
)
geumonoid (
CHEBI:65959
)
has role
metabolite (
CHEBI:25212
)
geumonoid (
CHEBI:65959
)
is a
methyl ketone (
CHEBI:51867
)
geumonoid (
CHEBI:65959
)
is a
monocarboxylic acid (
CHEBI:25384
)
geumonoid (
CHEBI:65959
)
is a
secondary alcohol (
CHEBI:35681
)
geumonoid (
CHEBI:65959
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
(1
R
,4a
R
,8a
S
)-
6-
{[(1
R
,2
S
,4a
R
,6
R
,7
R
,8a
R
)-
2-
acetyl-
6,7-
dihydroxy-
1,5,5,8a-
tetramethyldecahydronaphthalen-
2-
yl]methyl}-
1,4a-
dimethyl-
1,2,3,4,4a,8a-
hexahydronaphthalene-
1-
carboxylic acid
IUPAC
Citation
Type
Source
10993241
PubMed citation
Europe PMC
Last Modified
07 February 2013