5-Hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID: 162900302
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | OJNWGSSJVRDSGL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 44.0 |
| Compound Name | 5-Hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 594.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.153 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 594.6 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -6.60132821818182 |
| Inchi | InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)26-16-23(35)22-15-25(37)29(34(42-4)33(22)43-26)30-31(38)28-24(36)13-21(41-3)14-27(28)44-32(30)18-7-11-20(40-2)12-8-18/h5-16,36-37H,1-4H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)C4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)OC)O |
| Xlogp | 5.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C34H26O10 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anaxagorea Luzonensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Argyreia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Croton Regelianus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Erythrina Chiriquensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lathyrus Aphaca (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Melianthus Major (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Phelipanche Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Phoradendron Reichenbachianum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients