Lepidine C
PubChem CID: 100927765
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| Compound Synonyms | Lepidine C, 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole, 2-((3-(2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy)phenyl)methyl)-1H-imidazole, CHEBI:175626, 220434-00-4 |
|---|---|
| Topological Polar Surface Area | 75.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | GTJSRUGILPIENS-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | Lepidine C |
| Heavy Atom Count | 27.0 |
| Compound Name | Lepidine C |
| Description | Alkaloid from Lepidium sativum (garden cress). Lepidine C is found in garden cress and brassicas. |
| Exact Mass | 360.159 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.159 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 360.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[3-[2-(1H-imidazol-2-ylmethyl)-4-methoxyphenoxy]phenyl]methyl]-1H-imidazole |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H20N4O2/c1-26-17-5-6-19(16(13-17)14-21-24-9-10-25-21)27-18-4-2-3-15(11-18)12-20-22-7-8-23-20/h2-11,13H,12,14H2,1H3,(H,22,23)(H,24,25) |
| Smiles | COC1=CC(=C(C=C1)OC2=CC=CC(=C2)CC3=NC=CN3)CC4=NC=CN4 |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H20N4O2 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all