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Home > Indoles and Oxindole > 78860-40-9
78860-40-9 | 2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-DIHYDROXY-3,6-DI-1H-INDOL-3-YL-
CAS No: 78860-40-9 Catalog No: AG005P3W MDL No:
Product Description
Catalog Number:
AG005P3W
Chemical Name:
2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-DIHYDROXY-3,6-DI-1H-INDOL-3-YL-
CAS Number:
78860-40-9
Molecular Formula:
C22H14N2O4
Molecular Weight:
370.3576
IUPAC Name:
2,5-dihydroxy-3,6-bis(1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C22H14N2O4/c25-19-17(13-9-23-15-7-3-1-5-11(13)15)20(26)22(28)18(21(19)27)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25,28H
InChI Key:
HNGJGZFTQRJUIF-UHFFFAOYSA-N
SMILES:
OC1=C(C(=O)C(=C(C1=O)c1c[nH]c2c1cccc2)O)c1c[nH]c2c1cccc2
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.095g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.364g/mol
Monoisotopic Mass:
370.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Terrequinone A biosynthesis through L-tryptophan oxidation, dimerization and bisprenylation. | Nature chemical biology 20070901 |
| A one-pot chemoenzymatic synthesis for the universal precursor of antidiabetes and antiviral bis-indolylquinones. | Chemistry & biology 20070601 |
| Semicochliodinol A and B: inhibitors of HIV-1 protease and EGF-R protein tyrosine kinase related to asterriquinones produced by the fungus Chrysosporium merdarium. | The Journal of antibiotics 19970501 |
| Inhibition of HIV-reverse transcriptase activity by asterriquinone and its analogues. | Biochemical and biophysical research communications 19910115 |
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