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

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

Number of Rings

Bioavailability

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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