Chrysosplenol E
PubChem CID: 5315857
Connections displayed (default: 10).
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| Compound Synonyms | Chrysosplenol E, CHEMBL483843, LMPK12112528, 5-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one, 5,2'-dihydroxy-3,7,4',5'-tetramethoxy flavone, 23289-81-8 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNJVUACZJGJODM-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.872 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.745 |
| Compound Name | Chrysosplenol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8696575185185194 |
| Inchi | InChI=1S/C19H18O8/c1-23-9-5-12(21)16-15(6-9)27-18(19(26-4)17(16)22)10-7-13(24-2)14(25-3)8-11(10)20/h5-8,20-21H,1-4H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3O)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysosplenium Alternifolium (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysosplenium Americanum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Chrysosplenium Echinus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Chrysosplenium Grayanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Chrysosplenium Japonicum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Chrysosplenium Maximowiczii (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Chrysosplenium Nudicaule (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Chrysosplenium Oppositifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Chrysosplenium Tetrandrum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Chrysosplenium Tosaense (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Crataegus Maximowiczii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Monachosorum Maximowiczii (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Rheum Maximowiczii (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Syzygium Alternifolium (Plant) Rel Props:Reference: