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> Main
CHEBI:65476 - BE-54238B
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ChEBI Name
BE-54238B
ChEBI ID
CHEBI:65476
Definition
An organic heterohexacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C22H21NO6
Net Charge
0
Average Mass
395.40520
Monoisotopic Mass
395.13689
InChI
InChI=1S/C22H21NO6/c1-
8(24)
11-
4-
5-
12-
10-
3-
6-
13(25)
18-
17(10)
20(23(11)
12)
19-
16(21(18)
27)
9(2)
28-
14-
7-
15(26)
29-
22(14)
19/h3,6,8-
9,11,14,22,24,27H,4-
5,7H2,1-
2H3
InChIKey
GROPDRMIDADBEP-UHFFFAOYSA-N
SMILES
CC(O)C1CCc2c3C=CC(=O)c4c(O)c5C(C)OC6CC(=O)OC6c5c(n12)c34
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
of strain A54238 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.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
BE-54238B (
CHEBI:65476
)
has role
antimicrobial agent (
CHEBI:33281
)
BE-54238B (
CHEBI:65476
)
has role
antineoplastic agent (
CHEBI:35610
)
BE-54238B (
CHEBI:65476
)
has role
metabolite (
CHEBI:25212
)
BE-54238B (
CHEBI:65476
)
is a
γ-lactone (
CHEBI:37581
)
BE-54238B (
CHEBI:65476
)
is a
aromatic ketone (
CHEBI:76224
)
BE-54238B (
CHEBI:65476
)
is a
cyclic ether (
CHEBI:37407
)
BE-54238B (
CHEBI:65476
)
is a
enone (
CHEBI:51689
)
BE-54238B (
CHEBI:65476
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
BE-54238B (
CHEBI:65476
)
is a
organonitrogen heterocyclic compound (
CHEBI:38101
)
BE-54238B (
CHEBI:65476
)
is a
phenols (
CHEBI:33853
)
BE-54238B (
CHEBI:65476
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
7-
hydroxy-
1-
(1-
hydroxyethyl)-
8-
methyl-
2,3,8,9a,10,12a-
hexahydro-
6
H
-
benzo[
cd
]furo[2',3':5,6]pyrano[3,4-
g
]pyrrolo[1,2-
a
]indole-
6,11(1
H
)-
dione
Registry Number
Type
Source
8517555
Reaxys Registry Number
Reaxys
Citation
Type
Source
10724004
PubMed citation
Europe PMC
Last Modified
07 November 2013