| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
Popular Name: Magnolol Magnolol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 528-43-8 , [528-43-8]
5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
5,5'-Diallyl-biphenyl-2,2'-diol
5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol
5,5?-Diallyl-2,2?-biphenyldiol
| 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) | 4.80 | 6.75 | -5.33 | 2 | 2 | 0 | 40 | 266.34 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| MP | 101-102° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| biological_use | Antibacterial, antifungal agent | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antiplatelet agent | IBScreen Bioactives |
| mechanism | CNS depressant with serotonergic activity | IBScreen Bioactives IBScreen Bioactives |
| biological_source | Constit. of Sassafras randaiense and Magnolia spp. | ZereneX Building Blocks |
| mechanism | Inhibition of calcium influx through voltage gated channels | IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Target | NF-¦ĘB | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| biological_use | Relaxant | IBScreen Bioactives |
| mechanism | Reported from in-vitro study in rat aorta to produce relaxation of vascular smooth-muscle mediated by: release of endothelium derived relaxant factor | IBScreen Bioactives |
| biological_use | Sedative | IBScreen Bioactives |
| biological_use | Shows antiinflammatory and analgesic effects | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100499-1-O | SARS Coronavirus (cluster #1 Of 2), Other | Other | 3800 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100499 | Z100499 | SARS Coronavirus | 3800 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.