3-(5,6-Dimethoxy-1-benzofuran-2-yl)-6,7-dimethoxychromen-2-one
PubChem CID: 11291989
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(5,6-dimethoxy-1-benzofuran-2-yl)-6,7-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C21H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIYXZIMMUILXAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -1.511 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.533 |
| Compound Name | 3-(5,6-Dimethoxy-1-benzofuran-2-yl)-6,7-dimethoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.090124457142858 |
| Inchi | InChI=1S/C21H18O7/c1-23-17-7-11-5-13(21(22)28-15(11)10-20(17)26-4)16-6-12-8-18(24-2)19(25-3)9-14(12)27-16/h5-10H,1-4H3 |
| Smiles | COC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CC4=CC(=C(C=C4O3)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynanchum Viminale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lanaria Lanata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Selaginella Labordei (Plant) Rel Props:Source_db:cmaup_ingredients