Naamine G
PubChem CID: 11153300
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| Compound Synonyms | Naamine G, 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol, 4-((2-amino-5-((4-methoxyphenyl)methyl)-3-methylimidazol-4-yl)methyl)-2,6-dimethoxyphenol, CHEMBL488195, CHEBI:188560, 700813-14-5 |
|---|---|
| Topological Polar Surface Area | 91.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C21H25N3O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMFFDOWRZFDQGT-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.565 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.356 |
| Compound Name | Naamine G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 383.185 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.185 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 383.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.901063314285715 |
| Inchi | InChI=1S/C21H25N3O4/c1-24-17(10-14-11-18(27-3)20(25)19(12-14)28-4)16(23-21(24)22)9-13-5-7-15(26-2)8-6-13/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,23) |
| Smiles | CN1C(=C(N=C1N)CC2=CC=C(C=C2)OC)CC3=CC(=C(C(=C3)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all