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101140-06-1 | [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
CAS No: 101140-06-1 Catalog No: AG0003UJ MDL No:MFCD20275041
Product Description
Catalog Number:
AG0003UJ
Chemical Name:
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
CAS Number:
101140-06-1
Molecular Formula:
C30H18O10
Molecular Weight:
538.4579
MDL Number:
MFCD20275041
IUPAC Name:
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36H
InChI Key:
IQAMTZLKUHMPPE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.09g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
538.464g/mol
Monoisotopic Mass:
538.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). | Journal of natural products 20100528 |
| Benzophenones and biflavonoids from Garcinia livingstonei fruits. | Journal of agricultural and food chemistry 20100428 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Bioactive benzophenones from Garcinia xanthochymus fruits. | Journal of natural products 20050301 |
| Prenylated benzophenones and xanthones from Hypericum scabrum. | Journal of natural products 20041101 |
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