2-[(2R,4S)-5,7-dimethoxy-4-methyl-3,4-dihydro-2H-chromen-2-yl]-3,5-dimethoxyphenol
PubChem CID: 155542450
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| Compound Synonyms | CHEMBL4521262 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(2R,4S)-5,7-dimethoxy-4-methyl-3,4-dihydro-2H-chromen-2-yl]-3,5-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NZSVBOIMVGMKEO-APPDUMDISA-N |
| Fcsp3 | 0.4 |
| Logs | -5.148 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.682 |
| Compound Name | 2-[(2R,4S)-5,7-dimethoxy-4-methyl-3,4-dihydro-2H-chromen-2-yl]-3,5-dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.398155661538462 |
| Inchi | InChI=1S/C20H24O6/c1-11-6-17(20-14(21)7-12(22-2)8-16(20)25-5)26-18-10-13(23-3)9-15(24-4)19(11)18/h7-11,17,21H,6H2,1-5H3/t11-,17+/m0/s1 |
| Smiles | C[C@H]1C[C@@H](OC2=C1C(=CC(=C2)OC)OC)C3=C(C=C(C=C3OC)OC)O |
| 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