(Q105132342)

English

1-Acetylbisindigotin

chemical compound

In more languages

Statements

type of chemical entity

0 references

indole alkaloid

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532.1535405 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₀N₄O₃

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canonical SMILES

O=C1C(=NC=2C=CC=CC21)C=3NC=4C=CC=CC4C3C=5C(N=C6C=CC=CC65)=C7C(=O)C=8C=CC=CC8N7C(=O)C

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isomeric SMILES

CC(=O)N1/C(=C2\N=c3ccccc3=C2c2c(C3=Nc4ccccc4C3=O)[nH]c3ccccc23)C(=O)c2ccccc21

1 reference

based on heuristic

inferred from InChI

Isatis tinctoria

1 reference

Bisindigotin, a TCDD antagonist from the Chinese medicinal herb Isatis indigotica

Identifiers

InChI=1S/C34H20N4O3/c1-18(39)38-26-17-9-5-13-22(26)34(41)32(38)30-28(20-11-3-7-15-24(20)36-30)27-19-10-2-6-14-23(19)35-29(27)31-33(40)21-12-4-8-16-25(21)37-31/h2-17,35H,1H3/b32-30-

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JOHUUDIFIYMXHW-GCUVURNUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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