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20175-85-3 | [2,2'-Binaphthalene]-5,5',8,8'-tetrone, 1,1'-dihydroxy-6,6'-dimethyl-
CAS No: 20175-85-3 Catalog No: AG0027TY MDL No:
Product Description
Catalog Number:
AG0027TY
Chemical Name:
[2,2'-Binaphthalene]-5,5',8,8'-tetrone, 1,1'-dihydroxy-6,6'-dimethyl-
CAS Number:
20175-85-3
Molecular Formula:
C22H14O6
Molecular Weight:
374.3430
IUPAC Name:
5-hydroxy-6-(1-hydroxy-6-methyl-5,8-dioxonaphthalen-2-yl)-2-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C22H14O6/c1-9-7-15(23)17-13(19(9)25)5-3-11(21(17)27)12-4-6-14-18(22(12)28)16(24)8-10(2)20(14)26/h3-8,27-28H,1-2H3
InChI Key:
TXVAHWOABLOYCD-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(=O)c2c1c(O)c(cc2)c1ccc2c(c1O)C(=O)C=C(C2=O)C
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.079g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.348g/mol
Monoisotopic Mass:
374.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Naphthoquinones isolated from Diospyros anisandra exhibit potent activity against pan-resistant first-line drugs Mycobacterium tuberculosis strains. | Pulmonary pharmacology & therapeutics 20140201 |
| Isolation of three antibacterial naphthoquinones from Plumbago indica roots and development of a validated quantitative HPLC analytical method. | Natural product research 20121101 |
| Synergistic TRAIL sensitizers from Barleria alluaudii and Diospyros maritima. | Journal of natural products 20120323 |
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