Lansiumamide A
PubChem CID: 11414008
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| Compound Synonyms | Lansiumamide A, N-cis-Styrylcinnamamide, CHEBI:180742, DTXSID401219979, 121817-36-5, (E)-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide, (2E)-3-Phenyl-N-[(1Z)-2-phenylethenyl]-2-propenamide, (2E)-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)CCC1CCCCC1 |
| Deep Smiles | O=C/C=C/cccccc6))))))))N/C=Ccccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Description | Isolated from seeds of Clausena lansium (wampee). Lansiumamide A is found in fruits. |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)NCCC1CCCCC1 |
| Classyfire Subclass | Cinnamic acid amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-phenyl-N-[(Z)-2-phenylethenyl]prop-2-enamide |
| Class | Cinnamic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.6 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Cinnamic acid amides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H15NO |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)NC=Cc1ccccc1 |
| Inchi Key | DAZFHZLCFLDNPG-WCYNZMGESA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Lansiumamide A, N-cis-Styrylcinnamamide, (2E)-3-Phenyl-N-[(Z)-2-phenylethenyl]prop-2-enimidate, lansiumamide a, lansiumamide a(n-cis-styryl cinnamamide) |
| Esol Class | Soluble |
| Functional Groups | c/C=CNC(=O)/C=C/c |
| Compound Name | Lansiumamide A |
| Kingdom | Organic compounds |
| Exact Mass | 249.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.115 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 249.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H15NO/c19-17(12-11-15-7-3-1-4-8-15)18-14-13-16-9-5-2-6-10-16/h1-14H,(H,18,19)/b12-11+,14-13- |
| Smiles | C1=CC=C(C=C1)/C=C/C(=O)N/C=C\C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamic acid amides |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference:ISBN:9788172362133; ISBN:9788185042138