Piriferine
PubChem CID: 9548036
Connections displayed (default: 10).
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| Compound Synonyms | CMLDBU00002641, Piriferine, SR-05000001230, CHEMBL483215, CCG-102241, SR-05000001230-1, SR-05000001230-2 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MHTFRPKYOLEGDG-AUECHBEKSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -3.666 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.943 |
| Compound Name | Piriferine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4814535714285717 |
| Inchi | InChI=1S/C17H22N2O2/c1-13(2)17(21)18-15-9-6-12-19(15)16(20)11-10-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3,(H,18,21)/b11-10+/t15-/m1/s1 |
| Smiles | CC(C)C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aglaia Pirifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all