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ChEBI
> Main
CHEBI:66664 - manassantin B
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ChEBI Ontology
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ChEBI Name
manassantin B
ChEBI ID
CHEBI:66664
Definition
A lignan isolated from
Saururus cernuus
and
Saururus chinensis
and has been shown to exhibit antineoplastic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C41H48O11
Net Charge
0
Average Mass
716.81320
Monoisotopic Mass
716.31966
InChI
InChI=1S/C41H48O11/c1-
22-
23(2)
41(29-
12-
16-
33(36(20-
29)
47-
8)
51-
25(4)
39(43)
27-
10-
14-
31-
37(18-
27)
49-
21-
48-
31)
52-
40(22)
28-
11-
15-
32(35(19-
28)
46-
7)
50-
24(3)
38(42)
26-
9-
13-
30(44-
5)
34(17-
26)
45-
6/h9-
20,22-
25,38-
43H,21H2,1-
8H3/t22-
,23-
,24-
,25-
,38+,39+,40+,41+/m1/s1
InChIKey
GSWZMFDCPMPHDL-FZBBBUCASA-N
SMILES
COc1ccc(cc1OC)
[C@@H]
(O)
[C@@H]
(C)
Oc1ccc(cc1OC)
[C@H]
1O[C@@H]
([C@H]
(C)
[C@H]
1C)
c1ccc(O[C@H]
(C)
[C@H]
(O)
c2ccc3OCOc3c2)
c(OC)
c1
Metabolite of Species
Details
Saururus cernuus
(NCBI:txid13260)
See:
DOI
Saururus chinensis
(NCBI:txid54806)
Found in root
(BTO:0001188)
. 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
manassantin B (
CHEBI:66664
)
has role
antineoplastic agent (
CHEBI:35610
)
manassantin B (
CHEBI:66664
)
has role
metabolite (
CHEBI:25212
)
manassantin B (
CHEBI:66664
)
is a
benzodioxoles (
CHEBI:38298
)
manassantin B (
CHEBI:66664
)
is a
dimethoxybenzene (
CHEBI:51681
)
manassantin B (
CHEBI:66664
)
is a
lignan (
CHEBI:25036
)
manassantin B (
CHEBI:66664
)
is a
oxolanes (
CHEBI:26912
)
manassantin B (
CHEBI:66664
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(1
R
,2
R
)-
1-
(1,3-
benzodioxol-
5-
yl)-
2-
{4-
[(2
S
,3
R
,4
R
,5
S
)-
5-
(4-
{[(1
R
,2
R
)-
1-
(3,4-
dimethoxyphenyl)-
1-
hydroxypropan-
2-
yl]oxy}-
3-
methoxyphenyl)-
3,4-
dimethyltetrahydrofuran-
2-
yl]-
2-
methoxyphenoxy}propan-
1-
ol
Manual Xref
Database
US2010256228
Patent
View more database links
Registry Number
Type
Source
10509965
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14750033
PubMed citation
Europe PMC
16258248
PubMed citation
Europe PMC
19898804
PubMed citation
Europe PMC
19900481
PubMed citation
Europe PMC
22379572
PubMed citation
Europe PMC
22863119
PubMed citation
Europe PMC
Last Modified
03 April 2013