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ChEBI
> Main
CHEBI:66163 - samaderine Y
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ChEBI Ontology
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ChEBI Name
samaderine Y
ChEBI ID
CHEBI:66163
Definition
A quassinoid isolated from
Ailanthus malabarica
and
Quassia indica
and has been shown to exhibit cytotoxic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H26O7
Net Charge
0
Average Mass
378.41620
Monoisotopic Mass
378.16785
InChI
InChI=1S/C20H26O7/c1-
8-
4-
10(21)
16(24)
18(2)
9(8)
5-
12-
20-
7-
26-
19(3,11(20)
6-
13(22)
27-
12)
17(25)
14(23)
15(18)
20/h4,9,11-
12,14-
17,23-
25H,5-
7H2,1-
3H3/t9-
,11-
,12+,14+,15+,16+,17-
,18-
,19-
,20+/m0/s1
InChIKey
RIJRPXOHKGHZPR-SEAJDPHJSA-N
SMILES
[H]
[C@@]
12C[C@@]
3([H]
)
C(C)
=CC(=O)
[C@@H]
(O)
[C@]
3(C)
[C@@]
3([H]
)
[C@@H]
(O)
[C@H]
(O)
[C@@]
4(C)
OC[C@@]
13[C@@]
4([H]
)
CC(=O)
O2
Metabolite of Species
Details
Ailanthus malabarica
(IPNI:813542-1)
See:
DOI
Samadera indica
(NCBI:txid459147)
Found in stem
(BTO:0001300)
. 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
samaderine Y (
CHEBI:66163
)
has role
antineoplastic agent (
CHEBI:35610
)
samaderine Y (
CHEBI:66163
)
has role
metabolite (
CHEBI:25212
)
samaderine Y (
CHEBI:66163
)
is a
δ-lactone (
CHEBI:18946
)
samaderine Y (
CHEBI:66163
)
is a
cyclic ether (
CHEBI:37407
)
samaderine Y (
CHEBI:66163
)
is a
enone (
CHEBI:51689
)
samaderine Y (
CHEBI:66163
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
samaderine Y (
CHEBI:66163
)
is a
quassinoid (
CHEBI:72485
)
samaderine Y (
CHEBI:66163
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
samaderine Y (
CHEBI:66163
)
is a
secondary alcohol (
CHEBI:35681
)
samaderine Y (
CHEBI:66163
)
is a
triol (
CHEBI:27136
)
IUPAC Name
(1β,11β,12α)-1,11,12-trihydroxy-13,20-epoxypicras-3-ene-2,16-dione
Synonym
Source
(−)-samaderine Y
ChEBI
Registry Number
Type
Source
6939405
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16283683
PubMed citation
Europe PMC
16927353
PubMed citation
Europe PMC
8945767
PubMed citation
Europe PMC
Last Modified
06 February 2018