Tìm theo
5-deoxyflavanone
Thuốc Gốc
Small Molecule
CAS: 578-86-9
CTHH: C15H12O4
PTK: 256.2534
5-deoxyflavanone is a solid. This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H12O4
Phân tử khối
256.2534
Monoisotopic mass
256.073558872
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChI Key
InChIKey=FURUXTVZLHCCNA-AWEZNQCLSA-N
IUPAC Name
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Traditional IUPAC Name
5-deoxyflavanone
SMILES
OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=C(O)C=C2O1
Độ hòa tan
1.33e-01 g/l
logP
2.49
logS
-3.3
pKa (strongest acidic)
7.79
pKa (Strongest Basic)
-4.9
PSA
66.76 Å2
Refractivity
69.31 m3·mol-1
Polarizability
26.41 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
4
H Bond Donor Count
2
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/DB03601
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=114829
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505285
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