Tìm theo
Swainsonine
Thuốc Gốc
Small Molecule
CAS: 72741-87-8
CTHH: C8H15NO3
PTK: 173.2096
An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H15NO3
Phân tử khối
173.2096
Monoisotopic mass
173.105193351
InChI
InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6+,7-,8+/m0/s1
InChI Key
InChIKey=FXUAIOOAOAVCGD-FKSUSPILSA-N
IUPAC Name
(1S,2R,8S,8aS)-octahydroindolizine-1,2,8-triol
Traditional IUPAC Name
swainsonine
SMILES
O[C@@H]1CN2CCC[C@H](O)[C@H]2[C@@H]1O
Độ tan chảy
143-144 °C
Độ hòa tan
1.32e+03 g/l
logP
-1.4
logS
0.88
pKa (strongest acidic)
13.28
pKa (Strongest Basic)
9.47
PSA
63.93 Å2
Refractivity
43.12 m3·mol-1
Polarizability
18.07 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02034
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10975968
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506581
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C10173
ChemSpider
http://www.chemspider.com/Chemical-Structure.5170.html
Wikipedia
http://en.wikipedia.org/wiki/Swainsonine
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