Tìm theo
Rutin
Các tên gọi khác (5 ) :
  • 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-4h-Chromen-3-Yl 6-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-Beta-D-Glucopyranoside
  • Phytomelin
  • quercetin-3-rutinoside
  • Rutoside
  • sophorin
Thuốc có nguồn gốc Thảo dược, Động vật
Thuốc Gốc
Small Molecule
CAS: 153-18-4
ĐG : V Sab Medical Labs Inc.
CTHH: C27H30O16
PTK: 610.5175
A flavonol glycoside found in many plants, including buckwheat; tobacco; forsythia; hydrangea; viola, etc. It has been used therapeutically to decrease capillary fragility. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H30O16
Phân tử khối
610.5175
Monoisotopic mass
610.153384912
InChI
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1
InChI Key
InChIKey=IKGXIBQEEMLURG-BKUODXTLSA-N
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional IUPAC Name
rutin
SMILES
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Độ tan chảy
125 °C
Độ hòa tan
125 mg/L
logP
-0.87
logS
-2.2
pKa (strongest acidic)
6.43
pKa (Strongest Basic)
-3.7
PSA
265.52 Å2
Refractivity
140.15 m3·mol-1
Polarizability
57.69 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
16
H Bond Donor Count
10
Physiological Charge
-1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Dữ Kiện Thương Mại
Đóng gói
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01698
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936193
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508549
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05625
ChemSpider
http://www.chemspider.com/Chemical-Structure.4454825.html
PharmGKB
http://www.pharmgkb.org/drug/PA451291
Wikipedia
http://en.wikipedia.org/wiki/Rutin
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