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20245-39-0 | 9H-Xanthen-9-one, 1,3,7-trihydroxy-2-(3-methyl-2-buten-1-yl)-
CAS No: 20245-39-0 Catalog No: AG002894 MDL No:MFCD18072363
Product Description
Catalog Number:
AG002894
Chemical Name:
9H-Xanthen-9-one, 1,3,7-trihydroxy-2-(3-methyl-2-buten-1-yl)-
CAS Number:
20245-39-0
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
MDL Number:
MFCD18072363
IUPAC Name:
1,3,7-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
InChI:
InChI=1S/C18H16O5/c1-9(2)3-5-11-13(20)8-15-16(17(11)21)18(22)12-7-10(19)4-6-14(12)23-15/h3-4,6-8,19-21H,5H2,1-2H3
InChI Key:
FLWKTILHZPCXDW-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)ccc(c1)O)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Assessment of anxiolytic and panicolytic effects of dichloromethane fraction from stems of Kielmeyera coriacea. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20120215 |
| Effect of xanthone from Kielmeyera coriacea stems on serotonergic neurons of the median raphe nucleus. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20100301 |
| Antimicrobial activity of isoprenoid-substituted xanthones from Cudrania cochinchinensis against vancomycin-resistant enterococci. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20050601 |
| Antimicrobial activity of hydrophobic xanthones from Cudrania cochinchinensis against Bacillus subtilis and methicillin-resistant Staphylococcus aureus. | Chemistry & biodiversity 20040901 |
| Antifungal agents from the roots of Cudrania cochinchinensis against Candida, Cryptococcus, and Aspergillus species. | Journal of natural products 20030801 |
| Natural products inhibiting Candida albicans secreted aspartic proteases from Tovomita krukovii. | Planta medica 20020101 |
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