Aglamide D
PubChem CID: 16099511
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| Compound Synonyms | AGLAMIDE D, CHEMBL490540, (E)-1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C14H17NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UJHOJFYNJYVNOZ-MDZDMXLPSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.051 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.921 |
| Compound Name | Aglamide D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 231.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 231.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 231.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.726505470588236 |
| Inchi | InChI=1S/C14H17NO2/c1-17-14-8-5-11-15(14)13(16)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/b10-9+ |
| Smiles | COC1CCCN1C(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all