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(Q75059011)
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English
Bis(dethio)-10a-methylthio-3a-deoxy-3,3a-didehydrogliotoxin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-2-methyl-3-methylidene-10a-methylsulfanyl-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
292.088163372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆N₂O₃S
0 references
canonical SMILES
O=C1C(=C)N(C(=O)C2(SC)N1C3C(=CC=CC3O)C2)C
0 references
isomeric SMILES
CN1C(=C)C(=O)N2[C@@H]3[C@H](C=CC=C3C[C@]2(C1=O)SC)O
0 references
found in taxon
Penicillium
2 references
stated in
Gliotoxin analogues from a marine-derived fungus, Penicillium sp., and their cytotoxic and histone methyltransferase inhibitory activities
stated in
Gliotoxin analogues from a marine-derived fungus, Penicillium sp., and their cytotoxic and histone methyltransferase inhibitory activities
Identifiers
InChI
InChI=1S/C14H16N2O3S/c1-8-12(18)16-11-9(5-4-6-10(11)17)7-14(16,20-3)13(19)15(8)2/h4-6,10-11,17H,1,7H2,2-3H3/t10-,11-,14+/m0/s1
0 references
InChIKey
OXNWZASJHXTGNL-COPLHBTASA-N
2 references
stated in
PubChem
PubChem CID
57333568
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
57333568
language of work or name
English
PubChem CID
57333568
2 references
stated in
PubChem
PubChem CID
57333568
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OXNWZASJHXTGNL-COPLHBTASA-N
ChEBI ID
198252
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H16N2O3S/c1-8-12(18)16-11-9(5-4-6-10(11)17)7-14(16,20-3)13(19)15(8)2/h4-6,10-11,17H,1,7H2,2-3H3/t10-,11-,14+/m0/s1
UniChem compound ID
27203858
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000822
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OXNWZASJHXTGNL-COPLHBTASA-N
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