Tìm theo
Matairesinol
Các tên gọi khác (5 ) :
  • (-)-Matairesinol
  • (alphaR,betaR)-alpha,beta-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone
  • 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone
  • Artigenin congener
  • Dibenzylbutyrolactone lignanolide
Thuốc Gốc
Small Molecule
CAS: 580-72-3
CTHH: C20H22O6
PTK: 358.3851
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H22O6
Phân tử khối
358.3851
Monoisotopic mass
358.141638436
InChI
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
InChI Key
InChIKey=MATGKVZWFZHCLI-LSDHHAIUSA-N
IUPAC Name
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Traditional IUPAC Name
matairesinol
SMILES
[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1
Độ hòa tan
1.21e-02 g/l
logP
3.29
logS
-4.5
pKa (strongest acidic)
9.64
pKa (Strongest Basic)
-4.6
PSA
85.22 Å2
Refractivity
95.63 m3·mol-1
Polarizability
36.86 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04200
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=119205
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507098
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C10682
ChemSpider
http://www.chemspider.com/Chemical-Structure.106491.html
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