Acutifolin
PubChem CID: 5316376
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| Compound Synonyms | Acutifolin, CHEBI:229044, 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1-methylquinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C17H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BIJMYZRFCGRNCV-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -2.835 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.403 |
| Compound Name | Acutifolin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 303.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 303.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0392832363636355 |
| Inchi | InChI=1S/C17H21NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,13,19H,1,9H2,2-5H3 |
| Smiles | CC(=C)C(CC1=C(C2=C(C(=CC=C2)OC)N(C1=O)C)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients