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1001424-68-5 | 9H-Xanthen-9-one, 1,4,5,6-tetrahydroxy-7-(3-methyl-2-buten-1-yl)-
CAS No: 1001424-68-5 Catalog No: AG000136 MDL No:MFCD17214932
Product Description
Catalog Number:
AG000136
Chemical Name:
9H-Xanthen-9-one, 1,4,5,6-tetrahydroxy-7-(3-methyl-2-buten-1-yl)-
CAS Number:
1001424-68-5
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
MDL Number:
MFCD17214932
IUPAC Name:
1,4,5,6-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one
InChI:
InChI=1S/C18H16O6/c1-8(2)3-4-9-7-10-15(22)13-11(19)5-6-12(20)18(13)24-17(10)16(23)14(9)21/h3,5-7,19-21,23H,4H2,1-2H3
InChI Key:
FPOOJYQXDQYQKU-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc2c(c(c1O)O)oc1c(c2=O)c(O)ccc1O)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
328.32g/mol
Monoisotopic Mass:
328.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Xanthones with antiproliferative effects on prostate cancer cells from the stem bark of Garcinia xanthochymus. | Natural product communications 20120101 |
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