Tìm theo
Ginsenoside Rg1
Các tên gọi khác (1) :
  • Sanchinoside C1
central nervous system agents
Thuốc Gốc
Small Molecule
CAS: 22427-39-0
CTHH: C42H72O14
PTK: 801.0127
Ginsenosides are a class of steroid glycosides, and triterpene saponins, found exclusively in the plant genus Panax (ginseng). Ginsenosides have been the target of research, as they are viewed as the active compounds behind the claims of ginseng's efficacy. Because ginsenosides appear to affect multiple pathways, their effects are complex and difficult to isolate. Rg1 Appears to be most abundant in Panax ginseng (Chinese/Korean Ginseng). It improves spatial learning and increase hippocampal synaptophysin level in mice, plus demonstrates estrogen-like activity.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C42H72O14
Phân tử khối
801.0127
Monoisotopic mass
800.492207012
InChI
InChI=1S/C42H72O14/c1-19(2)10-9-12-42(8,56-38-36(52)34(50)32(48)26(18-44)55-38)21-11-13-40(6)29(21)23(45)15-22-28-20(3)14-27(46)39(4,5)30(28)24(16-41(22,40)7)53-37-35(51)33(49)31(47)25(17-43)54-37/h10,20-38,43-52H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,26-,27+,28?,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,40-,41-,42+/m1/s1
InChI Key
InChIKey=BPULMONLIRTBIG-SIWKGUCZSA-N
IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,3R,5S,7R,8S,10R,11R,14S,15R,16R)-5,16-dihydroxy-3,6,6,10,11-pentamethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1R,3R,5S,7R,8S,10R,11R,14S,15R,16R)-5,16-dihydroxy-3,6,6,10,11-pentamethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
C[C@@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H](C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)[C@](C)(CCC=C(C)C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Độ hòa tan
3.31e-01 g/l
logP
0.67
logS
-3.4
pKa (strongest acidic)
11.91
pKa (Strongest Basic)
-3
PSA
239.22 Å2
Refractivity
203.73 m3·mol-1
Polarizability
88.2 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
14
H Bond Donor Count
10
Physiological Charge
0
Number of Rings
6
Bioavailability
0
MDDR-Like Rule
true
Dược Động Học :

▧ Metabolism :
M1 (20- O -β- D -glucopyranosyl-20( S )- protopanaxadiol ) is a ppd-type monoglucoside ginsenoside metabolized by intestinal bacteria in humans
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06750
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46937027
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443286
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C08946
Wikipedia
http://en.wikipedia.org/wiki/Ginsenoside_Rg1
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