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ChEBI
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CHEBI:66261 - trichodimerol
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ChEBI Name
trichodimerol
ChEBI ID
CHEBI:66261
Definition
An organic heterotetracyclic compound found in
Trichoderma longibrachiatum
and
Penicillium chrysogenum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H32O8
Net Charge
0
Average Mass
496.54890
Monoisotopic Mass
496.20972
InChI
InChI=1S/C28H32O8/c1-
7-
9-
11-
13-
15(29)
17-
19-
23(3)
22(32)
18(16(30)
14-
12-
10-
8-
2)
20-
24(4,21(17)
31)
28(34)
25(19,5)
35-
27(23,33)
26(20,6)
36-
28/h7-
14,19-
20,31-
34H,1-
6H3/b9-
7+,10-
8+,13-
11+,14-
12+/t19-
,20-
,23-
,24-
,25+,26+,27-
,28-
/m1/s1
InChIKey
VATYWOIGKMMCMM-OXGNLDDNSA-N
SMILES
C\C=C\C=C\C(=O)
C1=C(O)
[C@@]
2(C)
[C@H]
3C(C(=O)
\C=C\C=C\C)
=C(O)
[C@@]
4(C)
[C@@H]
1[C@@]
1(C)
O[C@]
4(O)
[C@]
3(C)
O[C@@]
21O
Metabolite of Species
Details
Penicillium chrysogenum
(NCBI:txid5076)
of strain V 39673 See:
PubMed
Trichoderma longibrachiatum
(NCBI:txid5548)
See: CAN J CHEM, 1992, 70, 10, 2526
Roles Classification
Biological Role
(s):
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in
Penicillium
.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trichodimerol (
CHEBI:66261
)
has role
Penicillium
metabolite (
CHEBI:76964
)
trichodimerol (
CHEBI:66261
)
has role
antineoplastic agent (
CHEBI:35610
)
trichodimerol (
CHEBI:66261
)
is a
cyclic ether (
CHEBI:37407
)
trichodimerol (
CHEBI:66261
)
is a
enone (
CHEBI:51689
)
trichodimerol (
CHEBI:66261
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
Synonym
Source
BMS-182123
ChEBI
Registry Number
Type
Source
7609100
Reaxys Registry Number
Reaxys
Citation
Type
Source
8626236
PubMed citation
Europe PMC
Last Modified
13 January 2014
General Comment
2012-07-27
CAN J CHEM, 1992, 70, 10, 2526