| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2012 | 30 | Yes |
Popular Name: lupulone lupulone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 468-28-0 , [468-28-0]
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-; CPD-7110; lupulone
B'' -Acid;b-Bitter acid;b-Lupulic acid;b-Lupulinic acid;beta-Bitter acid;beta-Lupulic acid;Lupulon
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 6.334 | Bitter DB |
| Target | Prostaglandin G/H synthase 2(P35354)&Acetylcholinesterase(P22303)&Glutamate--cysteine ligase catalytic subunit(P48506) | Herbal Ingredients Targets |
No pre-computed analogs available. Try a structural similarity search.