Tìm theo
Forskolin
Thuốc Gốc
Small Molecule
CAS: 64657-11-0
CTHH: C22H34O7
PTK: 410.5012
Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive ionotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H34O7
Phân tử khối
410.5012
Monoisotopic mass
410.230453442
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
InChI Key
InChIKey=OHCQJHSOBUTRHG-KGGHGJDLSA-N
IUPAC Name
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate
Traditional IUPAC Name
forskolin
SMILES
[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C
Độ hòa tan
1.10e+00 g/l
logP
1.36
logS
-2.6
pKa (strongest acidic)
11.57
pKa (Strongest Basic)
-3
PSA
113.29 Å2
Refractivity
104.47 m3·mol-1
Polarizability
43.33 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02587
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=47936
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46509044
ChemSpider
http://www.chemspider.com/Chemical-Structure.43607.html
PharmGKB
http://www.pharmgkb.org/drug/PA146096022
Wikipedia
http://en.wikipedia.org/wiki/Forskolin
Drugs.com
http://www.drugs.com/npc/forskolin.html
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