Feruperine
PubChem CID: 131752909
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| Compound Synonyms | Feruperine, CHEBI:174039, (2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
|---|---|
| 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 | CC(CCCCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | COccc/C=CC=CC=O)NCCCCC6)))))))))))ccc6O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Phenols |
| Description | Alkaloid from pepper (Piper nigrum) (Piperaceae). Feruperine is found in herbs and spices and pepper (spice). |
| Scaffold Graph Node Level | OC(CCCCC1CCCCC1)N1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H21NO3 |
| Scaffold Graph Node Bond Level | O=C(C=CC=Cc1ccccc1)N1CCCCC1 |
| Inchi Key | IUGIGWWOEYFTDM-KYPMKJFLSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | Feruperine, feruperine |
| Esol Class | Soluble |
| Functional Groups | c/C=CC=CC(=O)N(C)C, cO, cOC |
| Compound Name | Feruperine |
| Kingdom | Organic compounds |
| Exact Mass | 287.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 287.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+ |
| Smiles | COC1=C(C=CC(=C1)/C=C\C=C\C(=O)N2CCCCC2)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all