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77741-58-3 | 1,7-Dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
CAS No: 77741-58-3 Catalog No: AG0057SU MDL No:MFCD20274908
Product Description
Catalog Number:
AG0057SU
Chemical Name:
1,7-Dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
CAS Number:
77741-58-3
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
MDL Number:
MFCD20274908
IUPAC Name:
1,7-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
InChI:
InChI=1S/C19H18O5/c1-10(2)4-6-12-15(23-3)9-16-17(18(12)21)19(22)13-8-11(20)5-7-14(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
InChI Key:
JKOMBLYQDHTFJC-UHFFFAOYSA-N
SMILES:
COc1cc2oc3ccc(cc3c(=O)c2c(c1CC=C(C)C)O)O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Xanthones from the seeds of Allanblackia monticola and their apoptotic and antiproliferative activities. | Planta medica 20090201 |
| Antimalarial and vasorelaxant constituents of the leaves of Allanblackia monticola (Guttiferae). | Annals of tropical medicine and parasitology 20070101 |
| Induction of apoptosis by xanthones from mangosteen in human leukemia cell lines. | Journal of natural products 20030801 |
| Antimycobacterial activity of prenylated xanthones from the fruits of Garcinia mangostana. | Chemical & pharmaceutical bulletin 20030701 |
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