17-METHYL-17-ALPHA-DIHYDROEQUILENIN
Thuốc Gốc
Small Molecule
CTHH: C19H22O2
PTK: 282.3768
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
282.3768
Monoisotopic mass
282.161979948
InChI
InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1
InChI Key
InChIKey=FQMQOMRDADWGJJ-GBESFXJTSA-N
IUPAC Name
(11S,14R,15S)-14,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaene-5,14-diol
Traditional IUPAC Name
(11S,14R,15S)-14,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaene-5,14-diol
SMILES
[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12
Độ hòa tan
2.18e-03 g/l
logP
4.02
logS
-5.1
pKa (strongest acidic)
9.79
pKa (Strongest Basic)
-3
PSA
40.46 Å2
Refractivity
84.5 m3·mol-1
Polarizability
32.7 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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