(+)-Lariciresinol Dimethyl Ether
PubChem CID: 181325
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| Compound Synonyms | Lariciresinol dimethyl ether, 67560-68-3, [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol, DTXSID40217892, (+)-Lariciresinol Dimethyl Ether, ((2S,3R,4R)-2-(3,4-Dimethoxyphenyl)-4-((3,4-dimethoxyphenyl)methyl)oxolan-3-yl)methanol, Dimethyllariciresinol, Dimethyl lariciresinol, Lariciresinoldimethylether, Lariciresil dimethyl ether, CHEMBL1760590, SCHEMBL17371414, DTXCID90140383, (2S,3R,4R)-2-(3,4-Dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-furanmethanol, (+)-Lariciresinol dimethyl ether, AKOS040761969, FS-8946, CS-0024142 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C22H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AYWPHVUFQNWITL-PNLZDCPESA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.741 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.896 |
| Compound Name | (+)-Lariciresinol Dimethyl Ether |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9590948571428584 |
| Inchi | InChI=1S/C22H28O6/c1-24-18-7-5-14(10-20(18)26-3)9-16-13-28-22(17(16)12-23)15-6-8-19(25-2)21(11-15)27-4/h5-8,10-11,16-17,22-23H,9,12-13H2,1-4H3/t16-,17-,22+/m0/s1 |
| Smiles | COC1=C(C=C(C=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all