2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-3-(methoxymethyl)-1-benzofuran-7-ol
PubChem CID: 10498464
Connections displayed (default: 10).
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| Topological Polar Surface Area | 92.3 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-3-(methoxymethyl)-1-benzofuran-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSJXKWCBZNUAQF-ONEGZZNKSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.769 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.828 |
| Compound Name | 2-(4-hydroxy-3-methoxyphenyl)-5-[(E)-3-hydroxyprop-1-enyl]-3-(methoxymethyl)-1-benzofuran-7-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.756241876923078 |
| Inchi | InChI=1S/C20H20O6/c1-24-11-15-14-8-12(4-3-7-21)9-17(23)20(14)26-19(15)13-5-6-16(22)18(10-13)25-2/h3-6,8-10,21-23H,7,11H2,1-2H3/b4-3+ |
| Smiles | COCC1=C(OC2=C1C=C(C=C2O)/C=C/CO)C3=CC(=C(C=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agave Rigidissima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Berberis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Heliotropium Europaeum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Isodon Nervosus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Isodon Xerophilus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lonicera Fulvotomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Strychnos Angustiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Viburnum Awabuki (Plant) Rel Props:Source_db:cmaup_ingredients