3-(6,8-Dimethoxy-2-oxochromen-7-yl)oxy-7-hydroxy-6,8-dimethoxychromen-2-one
PubChem CID: 44178670
Connections displayed (default: 10).
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| Topological Polar Surface Area | 119.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 779.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(6,8-dimethoxy-2-oxochromen-7-yl)oxy-7-hydroxy-6,8-dimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C22H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KEKQHIUVNDSPHK-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -4.51 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.988 |
| Compound Name | 3-(6,8-Dimethoxy-2-oxochromen-7-yl)oxy-7-hydroxy-6,8-dimethoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 442.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.642931200000001 |
| Inchi | InChI=1S/C22H18O10/c1-26-12-8-11-9-14(22(25)32-18(11)20(28-3)16(12)24)30-19-13(27-2)7-10-5-6-15(23)31-17(10)21(19)29-4/h5-9,24H,1-4H3 |
| Smiles | COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3=CC4=CC(=C(C(=C4OC3=O)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Gracillima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echium Rubrum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eichhornia Crassipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Entada Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Entada Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Fumaria Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Iberis Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Monomeria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Plectranthus Nummularius (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Pteris Setuloso-Costulata (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Roemeria Carica (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Schumanniophyton Magnificum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Vitex Limonifolia (Plant) Rel Props:Source_db:cmaup_ingredients