5-Hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID: 162966847
Connections displayed (default: 10).
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| Topological Polar Surface Area | 141.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.5 |
| Molecular Formula | C33H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMSCDSVGCQUALL-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.9 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.495 |
| Compound Name | 5-Hydroxy-3-[6-hydroxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 580.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.384976674418606 |
| Inchi | InChI=1S/C33H24O10/c1-39-19-10-6-16(7-11-19)25-15-22(35)21-14-24(37)28(33(41-3)32(21)42-25)29-30(38)27-23(36)12-20(40-2)13-26(27)43-31(29)17-4-8-18(34)9-5-17/h4-15,34,36-37H,1-3H3 |
| 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)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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