| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 15 | Yes |
Popular Name: Alpha-asarone Alpha-asarone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2883-98-9 , 494-40-6 , 5273-86-9 , [2883-98-9]
1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
2883-98-9; C17846; alpha-Asaron
cis-1-propenyl-2,4,5-trimethoxybenzene
trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene
| 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) | 2.49 | 2.4 | -7.15 | 0 | 3 | 0 | 27 | 208.257 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 168 - 170 | MolMall (formerly Molecular Diversity Preservation International) |
| mp | 57 - 61 | MolMall (formerly Molecular Diversity Preservation International) |
| biological_use | Anticonvulsant | IBScreen Bioactives |
| biological_use | Antihypercholesterolaemic and cholelytiasic agent | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Antihypercholesterolaemic, | IBScreen Bioactives |
| mechanism | CNS depressant agent | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.