Lepidine E
PubChem CID: 100927767
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| Compound Synonyms | Lepidine E, 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol, 4-(1H-imidazol-2-ylmethyl)-2-(3-(1H-imidazol-2-ylmethyl)phenoxy)phenol, CHEBI:175386, 220434-02-6 |
|---|---|
| Topological Polar Surface Area | 86.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Description | Alkaloid from the seeds of Lepidium sativum (garden cress). Lepidine E is found in garden cress and brassicas. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 3.3 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Diphenylethers |
| Molecular Formula | C20H18N4O2 |
| Inchi Key | TYCLBPSZSGTWCX-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Substituent Name | Diphenylether, Diaryl ether, Phenol, Heteroaromatic compound, Imidazole, Azole, Azacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | Lepidine E |
| Kingdom | Organic compounds |
| Exact Mass | 346.143 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 346.143 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24) |
| Smiles | C1=CC(=CC(=C1)OC2=C(C=CC(=C2)CC3=NC=CN3)O)CC4=NC=CN4 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all