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Home > Indoles and Oxindole > 78860-38-5
78860-38-5 | 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-[2-(1,1-DIMETHYL-2-PROPENYL)-1H-INDOL-3-YL]-3,6-DIHYDROXY-5-(1H-INDOL-3-YL)-
CAS No: 78860-38-5 Catalog No: AG005P3X MDL No:
Product Description
Catalog Number:
AG005P3X
Chemical Name:
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-[2-(1,1-DIMETHYL-2-PROPENYL)-1H-INDOL-3-YL]-3,6-DIHYDROXY-5-(1H-INDOL-3-YL)-
CAS Number:
78860-38-5
Molecular Formula:
C27H22N2O4
Molecular Weight:
438.4746
IUPAC Name:
2,5-dihydroxy-3-(1H-indol-3-yl)-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C27H22N2O4/c1-4-27(2,3)26-19(15-10-6-8-12-18(15)29-26)21-24(32)22(30)20(23(31)25(21)33)16-13-28-17-11-7-5-9-14(16)17/h4-13,28-30,33H,1H2,2-3H3
InChI Key:
BKRWGHXVQLNRMR-UHFFFAOYSA-N
SMILES:
C=CC(c1[nH]c2c(c1C1=C(O)C(=O)C(=C(C1=O)O)c1c[nH]c3c1cccc3)cccc2)(C)C
Properties
Complexity:
932
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.158g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
438.483g/mol
Monoisotopic Mass:
438.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| The Aspergillus nidulans enzyme TdiB catalyzes prenyltransfer to the precursor of bioactive asterriquinones. | Fungal genetics and biology : FG & B 20080301 |
| Inhibition of HIV-reverse transcriptase activity by asterriquinone and its analogues. | Biochemical and biophysical research communications 19910115 |
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