In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 31 | Yes |
Popular Name: Vitexin Vitexin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3681-93-4 , 521-33-5 , [3681-93-4]
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol
3681-93-4; Apigenin 8-C-glucoside; C01460; Vitexin
8-D-Glucosyl-4',5,7-trihydroxyflavone
CHEBI:15315; CHEBI:10012; CHEBI:27308
Vitexin with HPLC [3681-93-4]; (Apigenin-8-C-glucoside)
vitexin; vitexin anion; vitexin-7-olate anion; vitexin-7-olate(1-)
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.52 | -7.1 | -17.74 | 7 | 10 | 0 | 181 | 432.381 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
M.P. | 256-257 C | Indofine |
MP | 256-257o C | Indofine |
PUBCHEM_PATENT_ID | EP0054486A1; EP0147331A2; EP0275005B1; EP0775442A1; EP1011702A1; EP1024819A1; US4460578; US4942033; US6096364; US6121243; US6133241; WO1997039355A1; WO1999010002A1; WO1999011144A1; WO1999021570A1; WO1999048386A1; WO1999052380A1; WO1999059605A1; WO20000150 | IBM Patent Data |
Patent Database Links | EP1731522; EP1925311; US2008233242; US2008242855 | ChEBI |
SOLUBILITY | Soluble in Ethyl acetate:Formic acid (50:7) | Indofine |
Target | Transcription factor AP-1(P05412)&Interleukin-2(P60568) | Herbal Ingredients Targets |
APPEARANCE | Yellow powder | Indofine |