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ChEBI
> Main
CHEBI:65951 - gaudichaudiic acid G
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ChEBI Name
gaudichaudiic acid G
ChEBI ID
CHEBI:65951
Definition
An organic heteroheptacyclic compound isolated from the bark of Indonesian
Garcinia gaudichaudii
and exhibits cytotoxic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C38H40O8
Net Charge
0
Average Mass
624.71940
Monoisotopic Mass
624.27232
InChI
InChI=1S/C38H40O8/c1-
10-
34(4,5)
27-
30-
25(21-
15-
18(2)
11-
12-
22(21)
35(6,7)
44-
30)
29(40)
26-
28(39)
23-
16-
20-
17-
24-
36(8,9)
46-
37(32(20)
41,14-
13-
19(3)
33(42)
43)
38(23,24)
45-
31(26)
27/h10-
13,15-
16,20,24,40H,1,14,17H2,2-
9H3,(H,42,43)
/b19-
13+/t20-
,24+,37+,38-
/m0/s1
InChIKey
QSMLJRUCZBGQPR-MGSFFUDNSA-N
SMILES
[H]
[C@]
12C[C@]
3([H]
)
C(C)
(C)
O[C@]
(C\C=C(/C)
C(O)
=O)
(C1=O)
[C@@]
31Oc3c(C(=O)
C1=C2)
c(O)
c-
1c(OC(C)
(C)
c2ccc(C)
cc-
12)
c3C(C)
(C)
C=C
Metabolite of Species
Details
Garcinia gaudichaudii
(IPNI:427963-1)
Found in bark
(BTO:0001301)
. 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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
gaudichaudiic acid G (
CHEBI:65951
)
has role
antineoplastic agent (
CHEBI:35610
)
gaudichaudiic acid G (
CHEBI:65951
)
has role
metabolite (
CHEBI:25212
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
bridged compound (
CHEBI:35990
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
cyclic ether (
CHEBI:37407
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
cyclic ketone (
CHEBI:3992
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
organic heteroheptacyclic compound (
CHEBI:52157
)
gaudichaudiic acid G (
CHEBI:65951
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
IUPAC Name
(2
E
)-
4-
[(1
S
,3a
R
,5
R
,16a
R
)-
8-
hydroxy-
3,3,10,13,13-
pentamethyl-
15-
(2-
methylbut-
3-
en-
2-
yl)-
7,17-
dioxo-
3a,4,5,7-
tetrahydro-
3
H
,13
H
-
1,5-
methanofuro[3,4-
g
]isochromeno[4,3-
b
]xanthen-
1-
yl]-
2-
methylbut-
2-
enoic acid
Registry Number
Type
Source
8747845
Reaxys Registry Number
Reaxys
Citation
Type
Source
11101460
PubMed citation
Europe PMC
Last Modified
27 June 2014