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ChEBI
> Main
CHEBI:66802 - obochalcolactone
Main
ChEBI Ontology
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ChEBI Name
obochalcolactone
ChEBI ID
CHEBI:66802
Definition
A member of the class of chalcones isolated from the trunk barks of
Cryptocarya obovata
and has been shown to exhibit cytotoxicity against the KB cell line.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H30O7
Net Charge
0
Average Mass
550.59780
Monoisotopic Mass
550.19915
InChI
InChI=1S/C34H30O7/c35-
27(15-
14-
22-
8-
3-
1-
4-
9-
22)
32-
29(37)
20-
28(36)
31-
24-
18-
26(19-
25-
12-
7-
13-
30(38)
39-
25)
40-
34(21-
24,41-
33(31)
32)
17-
16-
23-
10-
5-
2-
6-
11-
23/h1-
11,13-
17,20,24-
26,36-
37H,12,18-
19,21H2/b15-
14+,17-
16+/t24-
,25+,26-
,34-
/m0/s1
InChIKey
PRJFEGMPMYRWIX-MXIXYQCPSA-N
SMILES
[H]
[C@@]
1(CC=CC(=O)
O1)
C[C@@H]
1C[C@@]
2([H]
)
C[C@@]
(O1)
(Oc1c(C(=O)
\C=C\c3ccccc3)
c(O)
cc(O)
c21)
\C=C\c1ccccc1
Metabolite of Species
Details
Cryptocarya obovata
(NCBI:txid29743)
Found in trunk bark
(BTO:0001494)
. See:
PubMed
Cryptocarya obovata
(NCBI:txid29743)
Found in fruit
(BTO:0000486)
. 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
obochalcolactone (
CHEBI:66802
)
has role
antineoplastic agent (
CHEBI:35610
)
obochalcolactone (
CHEBI:66802
)
has role
metabolite (
CHEBI:25212
)
obochalcolactone (
CHEBI:66802
)
is a
δ-lactone (
CHEBI:18946
)
obochalcolactone (
CHEBI:66802
)
is a
chalcones (
CHEBI:23086
)
obochalcolactone (
CHEBI:66802
)
is a
cyclic ether (
CHEBI:37407
)
obochalcolactone (
CHEBI:66802
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(6
R
)-
6-
({(2
R
,4
S
,6
S
)-
7,9-
dihydroxy-
2-
[(
E
)-
2-
phenylethenyl]-
10-
[(2
E
)-
3-
phenylprop-
2-
enoyl]-
5,6-
dihydro-
4
H
-
2,6-
methano-
1,3-
benzodioxocin-
4-
yl}methyl)-
5,6-
dihydro-
2
H
-
pyran-
2-
one
Synonym
Source
(6
R
)-
6-
({(1
S
,9
R
,11
S
)-
3,5-
dihydroxy-
6-
[(2
E
)-
3-
phenyl-
2-
propenoyl]-
9-
[(
E
)-
2-
phenylvinyl]-
8,10-
dioxatricyclo[7.3.1.0[2,7]]trideca-
2,4,6-
trien-
11-
yl}methyl)-
5,6-
dihydro-
2
H
-
pyran-
2-
one
ChEBI
Registry Number
Type
Source
10744655
Reaxys Registry Number
Reaxys
Citation
Type
Source
15165150
PubMed citation
Europe PMC
Last Modified
17 April 2013