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ChEBI
> Main
CHEBI:65475 - BE-54238A
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ChEBI Ontology
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ChEBI Name
BE-54238A
ChEBI ID
CHEBI:65475
Definition
An organic heteropentacyclic compound that is isolated from
Streptomyces
sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H23NO6
Net Charge
0
Average Mass
397.42110
Monoisotopic Mass
397.15254
InChI
InChI=1S/C22H23NO6/c1-
9(24)
14-
4-
5-
15-
12-
3-
6-
16(25)
20-
19(12)
21(23(14)
15)
13-
7-
11(8-
17(26)
27)
29-
10(2)
18(13)
22(20)
28/h3,6,9-
11,14,24,28H,4-
5,7-
8H2,1-
2H3,(H,26,27)
InChIKey
AWMWNWIBOOYESP-UHFFFAOYSA-N
SMILES
CC(O)C1CCc2c3C=CC(=O)c4c(O)c5C(C)OC(CC(O)=O)Cc5c(n12)c34
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
of strain A54238 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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
BE-54238A (
CHEBI:65475
)
has role
antimicrobial agent (
CHEBI:33281
)
BE-54238A (
CHEBI:65475
)
has role
antineoplastic agent (
CHEBI:35610
)
BE-54238A (
CHEBI:65475
)
has role
metabolite (
CHEBI:25212
)
BE-54238A (
CHEBI:65475
)
is a
aromatic ketone (
CHEBI:76224
)
BE-54238A (
CHEBI:65475
)
is a
cyclic ether (
CHEBI:37407
)
BE-54238A (
CHEBI:65475
)
is a
enone (
CHEBI:51689
)
BE-54238A (
CHEBI:65475
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
BE-54238A (
CHEBI:65475
)
is a
organonitrogen heterocyclic compound (
CHEBI:38101
)
BE-54238A (
CHEBI:65475
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
BE-54238A (
CHEBI:65475
)
is a
phenols (
CHEBI:33853
)
BE-54238A (
CHEBI:65475
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
[7-
hydroxy-
1-
(1-
hydroxyethyl)-
8-
methyl-
6-
oxo-
1,2,3,8,10,11-
hexahydro-
6
H
-
benzo[
cd
]pyrano[3,4-
g
]pyrrolo[1,2-
a
]indol-
10-
yl]acetic acid
Registry Number
Type
Source
8519118
Reaxys Registry Number
Reaxys
Citation
Type
Source
10724004
PubMed citation
Europe PMC
Last Modified
07 November 2013