Tìm theo
beta-Naphthoflavone
Các tên gọi khác (2) :
  • 5,6-benzoflavone
  • beta-NF
enzyme inhibitors
Thuốc Gốc
Small Molecule
CAS: 6051-87-2
CTHH: C19H12O2
PTK: 272.2974
beta-Naphthoflavone, also known as 5,6-benzoflavone, is a potent agonist of the aryl hydrocarbon receptor and as such is an inducer of such detoxification enzymes as cytochromes P450 (CYPs) and uridine 5'-diphospho-glucuronosyltransferases (UGTs). β-Naphthoflavone is a putative chemopreventive agent.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H12O2
Phân tử khối
272.2974
Monoisotopic mass
272.083729628
InChI
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChI Key
InChIKey=OUGIDAPQYNCXRA-UHFFFAOYSA-N
IUPAC Name
3-phenyl-1H-benzo[f]chromen-1-one
Traditional IUPAC Name
β-naphthoflavone
SMILES
O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1
Độ hòa tan
1.01e-03 g/l
logP
3.96
logS
-5.4
pKa (strongest acidic)
15.42
pKa (Strongest Basic)
-5.4
PSA
26.3 Å2
Refractivity
83.42 m3·mol-1
Polarizability
29.9 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06732
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2361
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443278
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50028963
Wikipedia
http://en.wikipedia.org/wiki/Beta-Naphthoflavone
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