Fragransin D1
PubChem CID: 14015414
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| Compound Synonyms | Fragransin D1, (+)-Fragransin D1, 4'-Hydroxy-3,3',4,5-tetramethoxy-7,7'-epoxylignan, CHEBI:175946, 4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | XEDYWOVSWKYCOS-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | Fragransin D2 |
| Heavy Atom Count | 28.0 |
| Compound Name | Fragransin D1 |
| Description | Constituent of Myristica fragrans (nutmeg). Fragransin D2 is found in nutmeg and herbs and spices. |
| Exact Mass | 388.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.189 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]-2-methoxyphenol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3 |
| Smiles | CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C |
| Xlogp | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H28O6 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:fooddb_chem_all