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(Q105159869)
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English
2-[3-[2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
490.142975816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₁₈N₄O₂
0 references
canonical SMILES
O=C1C(=NC=2C=CC=CC21)C=3NC=4C=CC=CC4C3C=5C(N=C6C=CC=CC65)=C7NC=8C=CC=CC8C7=O
0 references
found in taxon
Isatis tinctoria
2 references
stated in
Bisindigotin, a TCDD antagonist from the Chinese medicinal herb Isatis indigotica
stated in
A comprehensive metabolite profiling of Isatis tinctoria leaf extracts
Identifiers
InChI
InChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,33,36H
0 references
InChIKey
LZGZSWNCEMPXSX-UHFFFAOYSA-N
0 references
PubChem CID
163080242
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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