(2R,4S)-5,7-dimethoxy-4-methyl-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID: 155535739
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| Compound Synonyms | CHEMBL4472330 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4S)-5,7-dimethoxy-4-methyl-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-chromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C21H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AIWOIWFRWKGFRX-KPZWWZAWSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -5.376 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.75 |
| Compound Name | (2R,4S)-5,7-dimethoxy-4-methyl-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-chromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 374.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 374.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.61437348888889 |
| Inchi | InChI=1S/C21H26O6/c1-12-7-18(21-16(25-5)9-13(22-2)10-17(21)26-6)27-19-11-14(23-3)8-15(24-4)20(12)19/h8-12,18H,7H2,1-6H3/t12-,18+/m0/s1 |
| Smiles | C[C@H]1C[C@@H](OC2=C1C(=CC(=C2)OC)OC)C3=C(C=C(C=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients