Anhydroaegeline
PubChem CID: 13821181
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| Compound Synonyms | anhydroaegeline, CHEMBL510582, DTXSID101173279, (2E)-N-[(1E)-2-(4-Methoxyphenyl)ethenyl]-3-phenyl-2-propenamide, 87596-53-0 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNOWFEIVNQBQRT-KAQIVPQOSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -4.759 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.762 |
| Compound Name | Anhydroaegeline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.254058942857142 |
| Inchi | InChI=1S/C18H17NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-14H,1H3,(H,19,20)/b12-9+,14-13+ |
| Smiles | COC1=CC=C(C=C1)/C=C/NC(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all