Tìm theo
Ellagic Acid
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 476-66-4
CTHH: C14H6O8
PTK: 302.1926
Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative effects.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H6O8
Phân tử khối
302.1926
Monoisotopic mass
302.006267168
InChI
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChI Key
InChIKey=AFSDNFLWKVMVRB-UHFFFAOYSA-N
IUPAC Name
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
Traditional IUPAC Name
ellagic acid
SMILES
OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
Độ tan chảy
Greater than 360°C
Độ hòa tan
Slightly soluble in alcohol or water
logP
2.32
logS
-2.6
pKa (strongest acidic)
5.54
pKa (Strongest Basic)
-4.8
PSA
133.52 Å2
Refractivity
70.61 m3·mol-1
Polarizability
26.34 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative/anti-cancer effects.
Cơ Chế Tác Dụng : Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative effects. The exact mechanism of action of ellagic acid in its different potential indications is still being investigated.
Dược Động Học :
▧ Absorption :
After oral consumption, ellagic acid reaches maximum concentrations in about 1 hour.
▧ Clearance :
Ellagic acid is eliminated from the body in about 4 hours.
Chỉ Định : Ellagic acid is being investigated for use in follicular lymphoma, brain injury in intrauterine growth restricted babies, obese adolescents, and solar lentigines.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08846
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C10788
Wikipedia
http://en.wikipedia.org/wiki/Ellagic_acid
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