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(Q77385592)
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Dihydroxyisoechinulin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[[5-(2,3-dihydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
425.231456472
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
dihydroxyisoechinulin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₁N₃O₄
0 references
canonical SMILES
C=CC(C)(C)c1[nH]c2ccc(CC(O)C(C)(C)O)cc2c1C=C1NC(=O)C(C)NC1=O
0 references
isomeric SMILES
C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C=C(C=C3)C[C@@H](C(C)(C)O)O)C(C)(C)C=C)/C(=O)N1
0 references
found in taxon
Aspergillus
1 reference
stated in
New Radical Scavenging and Ultraviolet-A Protecting Prenylated Dioxopiperazine Alkaloid Related to Isoechinulin A from a Marine Isolate of the Fungus Aspergillus
Identifiers
InChI
InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19-/m0/s1
0 references
InChIKey
ICDCJXUIMDWCFI-OWBKGHKZSA-N
2 references
stated in
PubChem
PubChem CID
118734965
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
118734965
language of work or name
English
PubChem CID
118734965
2 references
stated in
PubChem
PubChem CID
118734965
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ICDCJXUIMDWCFI-OWBKGHKZSA-N
ChEBI ID
204416
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19-/m0/s1
UniChem compound ID
144620426
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007503
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICDCJXUIMDWCFI-OWBKGHKZSA-N
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