Lansamide 4
PubChem CID: 10519101
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| Compound Synonyms | Lansamide 4, 3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one, 211505-00-9, Lansimide 4, 3-Hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinone, CHEBI:141548, 3-Hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinon, 2-piperidinone, 3-hydroxy-6-methoxy-1-methyl-4,5-diphenyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C2CCCCC2)C(C2CCCCC2)C1 |
| Deep Smiles | COCNC)C=O)CCC6cccccc6)))))))cccccc6)))))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Stilbenes |
| Description | Constituent of Clausena lansium (wampee). Lansamide 4 is found in fruits. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)C(C2CCCCC2)CN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one |
| Class | Stilbenes |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.4 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H21NO3 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)C(c2ccccc2)CN1 |
| Inchi Key | HGOXSQCBJLZRJO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 3-Hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinone, Lansamide 4, Lansimide 4, 3-Hydroxy-6-methoxy-1-methyl-4,5-diphenyl-2-piperidinon, lansimide 4 |
| Esol Class | Soluble |
| Functional Groups | CO, COC(C)N(C)C(C)=O |
| Compound Name | Lansamide 4 |
| Kingdom | Organic compounds |
| Exact Mass | 311.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 311.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3 |
| Smiles | CN1C(C(C(C(C1=O)O)C2=CC=CC=C2)C3=CC=CC=C3)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Stilbenes |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference:ISBN:9770972795006