13-Acetylphorbol
protein kinase c delta
Thuốc Gốc
Small Molecule
CTHH: C22H30O7
PTK: 406.4694
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
406.4694
Monoisotopic mass
406.199153314
InChI
InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1
InChI Key
InChIKey=SDSVJYOOAPRSDA-RPCQODIISA-N
IUPAC Name
(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl acetate
Traditional IUPAC Name
phorbol 13-acetate
SMILES
[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C
Độ hòa tan
1.44e+00 g/l
logP
-0.34
logS
-2.5
pKa (strongest acidic)
12.54
pKa (Strongest Basic)
-2.7
PSA
124.29 Å2
Refractivity
104.93 m3·mol-1
Polarizability
43.05 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
4
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading