3-Hydroxy-6,8-dimethoxy-7-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one
PubChem CID: 44178671
Connections displayed (default: 10).
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 732.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-6,8-dimethoxy-7-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C21H16O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZBQCBWGNVFMWMX-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.3 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.159 |
| Compound Name | 3-Hydroxy-6,8-dimethoxy-7-(6-methoxy-2-oxochromen-7-yl)oxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.079 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 412.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.572503333333334 |
| Inchi | InChI=1S/C21H16O9/c1-25-14-7-10-4-5-17(23)28-13(10)9-15(14)29-19-16(26-2)8-11-6-12(22)21(24)30-18(11)20(19)27-3/h4-9,22H,1-3H3 |
| Smiles | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3=C(C=C4C=C(C(=O)OC4=C3OC)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 Pseuduvaria Indochinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Pteris Setuloso-Costulata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Roemeria Carica (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Schumanniophyton Magnificum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Vitex Limonifolia (Plant) Rel Props:Source_db:cmaup_ingredients