[(4R)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone
PubChem CID: 162877368
Connections displayed (default: 10).
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| Topological Polar Surface Area | 78.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4R)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNFFPTUYVDSHPV-LLVKDONJSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.972 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.923 |
| Compound Name | [(4R)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.644342676923078 |
| Inchi | InChI=1S/C20H18O6/c1-23-17-9-14-11(5-7-26-16(14)10-18(17)24-2)19(21)13-3-4-15-12(20(13)22)6-8-25-15/h3-4,6,8-11,22H,5,7H2,1-2H3/t11-/m1/s1 |
| Smiles | COC1=C(C=C2C(=C1)[C@@H](CCO2)C(=O)C3=C(C4=C(C=C3)OC=C4)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Geum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Luffa Operculata (Plant) Rel Props:Source_db:cmaup_ingredients