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ChEBI
> Main
CHEBI:66514 - sorocenol G
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ChEBI Name
sorocenol G
ChEBI ID
CHEBI:66514
Definition
An organic heteropentacyclic compound isolated from
Sorocea muriculata
and has been shown to exhibit antibacterial activity against methicillin-resistant
Staphylococcus aureus
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C39H32O8
Net Charge
0
Average Mass
628.66660
Monoisotopic Mass
628.20972
InChI
InChI=1S/C39H32O8/c1-
19-
12-
26-
24-
7-
6-
23(41)
18-
33(24)
45-
39(28-
8-
9-
29(42)
25-
10-
11-
38(2,3)
47-
37(25)
28)
36(26)
27(13-
19)
35-
30(43)
14-
21(16-
34(35)
46-
39)
31-
15-
20-
4-
5-
22(40)
17-
32(20)
44-
31/h4-
11,13-
18,26-
27,36,40-
43H,12H2,1-
3H3/t26-
,27+,36-
,39-
/m0/s1
InChIKey
GOBAQYCCUYZMJY-HGLYATPPSA-N
SMILES
[H]
[C@]
12CC(C)
=C[C@]
3([H]
)
c4c(O)
cc(cc4O[C@@]
(Oc4cc(O)
ccc14)
(c1ccc(O)
c4C=CC(C)
(C)
Oc14)
[C@@]
23[H]
)
-
c1cc2ccc(O)
cc2o1
Metabolite of Species
Details
Sorocea muriculata
(NCBI:txid241923)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sorocenol G (
CHEBI:66514
)
has role
antibacterial agent (
CHEBI:33282
)
sorocenol G (
CHEBI:66514
)
has role
metabolite (
CHEBI:25212
)
sorocenol G (
CHEBI:66514
)
is a
1-benzofurans (
CHEBI:38830
)
sorocenol G (
CHEBI:66514
)
is a
chromenes (
CHEBI:23232
)
sorocenol G (
CHEBI:66514
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
sorocenol G (
CHEBI:66514
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(3a
S
,8a
R
,13b
R
,13c
S
)-
6-
(6-
hydroxy-
1-
benzofuran-
2-
yl)-
8a-
(5-
hydroxy-
2,2-
dimethyl-
2
H
-
chromen-
8-
yl)-
2-
methyl-
1,8a,13b,13c-
tetrahydro-
3a
H
-
benzo[3,4]isochromeno[1,8-
bc
]chromene-
4,11-
diol
Registry Number
Type
Source
19203597
Reaxys Registry Number
Reaxys
Citation
Type
Source
18847244
PubMed citation
Europe PMC
Last Modified
08 July 2013