7,8-Dihydroxy-1-Methoxy-3-Methyl-10-Oxo-4,10-Dihydro-1h,3h-Pyrano[4,3-B]Chromene-9-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C15H14O8
PTK: 322.2669
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
322.2669
Monoisotopic mass
322.068867424
InChI
InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1
InChI Key
InChIKey=RSFJMLCZHPZXCW-AANKLQPISA-N
IUPAC Name
(1R,3S)-7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1H,3H,4H,10H-pyrano[4,3-b]chromene-9-carboxylic acid
Traditional IUPAC Name
(1R,3S)-7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1H,3H,4H-pyrano[4,3-b]chromene-9-carboxylic acid
SMILES
[H][C@]1(C)CC2=C(C(=O)C3=C(O2)C=C(O)C(O)=C3C(O)=O)[C@]([H])(OC)O1
Độ hòa tan
1.27e+00 g/l
logP
1.56
logS
-2.4
pKa (strongest acidic)
2.25
pKa (Strongest Basic)
-4
PSA
122.52 Å2
Refractivity
77.56 m3·mol-1
Polarizability
30.56 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
8
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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