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ChEBI
> Main
CHEBI:67827 - austocystin D
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ChEBI Name
austocystin D
ChEBI ID
CHEBI:67827
Definition
An organic heteropentacyclic compound isolated from
Aspergillus
and
Aspergillus ustus
and has been shown to exhibit cytotoxic activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H20O8
Net Charge
0
Average Mass
412.38940
Monoisotopic Mass
412.11582
InChI
InChI=1S/C22H20O8/c1-
21(2,26)
6-
5-
10-
3-
4-
11(23)
14-
17(24)
15-
12(29-
19(10)
14)
9-
13-
16(18(15)
25)
22(27)
7-
8-
28-
20(22)
30-
13/h3-
4,7-
9,20,23,25-
27H,5-
6H2,1-
2H3/t20-
,22-
/m1/s1
InChIKey
VXTQFTUOAJRUDO-IFMALSPDSA-N
SMILES
CC(C)(O)CCc1ccc(O)c2c1oc1cc3O[C@H]4OC=C[C@@]4(O)c3c(O)c1c2=O
Metabolite of Species
Details
Aspergillus ustus
(NCBI:txid40382)
Maize meal cultures of Aspergillus ustus See:
PubMed
Aspergillus
(NCBI:txid5052)
of strain UGM218 See:
PubMed
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
austocystin D (
CHEBI:67827
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
austocystin D (
CHEBI:67827
)
has role
antineoplastic agent (
CHEBI:35610
)
austocystin D (
CHEBI:67827
)
is a
cyclic ketone (
CHEBI:3992
)
austocystin D (
CHEBI:67827
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
austocystin D (
CHEBI:67827
)
is a
oxacycle (
CHEBI:38104
)
austocystin D (
CHEBI:67827
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
(3a
R
,12a
R
)-
3a,4,6-
trihydroxy-
9-
(3-
hydroxy-
3-
methylbutyl)-
3a,12a-
dihydro-
5
H
-
furo[3ʼ,2ʼ:4,5]furo[3,2-
b
]xanthen-
5-
one
Registry Numbers
Types
Sources
5176992
Reaxys Registry Number
Reaxys
55256-53-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21348461
PubMed citation
Europe PMC
23356844
PubMed citation
Europe PMC
Last Modified
09 October 2013