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145643-96-5 | 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
CAS No: 145643-96-5 Catalog No: AG001D8U MDL No:MFCD20731040
Product Description
Catalog Number:
AG001D8U
Chemical Name:
6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 3,8,10-trihydroxy-6-(2-methyl-1-propenyl)-
CAS Number:
145643-96-5
Molecular Formula:
C20H16O6
Molecular Weight:
352.3374
MDL Number:
MFCD20731040
IUPAC Name:
3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
InChI:
InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
InChI Key:
VHNPAPHWKVLGHG-UHFFFAOYSA-N
SMILES:
CC(=CC1Oc2cc(O)ccc2c2c1c(=O)c1c(o2)cc(cc1O)O)C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.342g/mol
Monoisotopic Mass:
352.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| New isoprenylated flavonoids and cytotoxic constituents from Artocarpus tonkinensis. | Journal of Asian natural products research 20100701 |
| New isoprenylated flavonoid from Morus alba. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100601 |
| [Studies on chemical constituents from bark of Morus nigra]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20071201 |
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