(2S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one
PubChem CID: 15298900
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 151171-28-7, (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one, CHEMBL508961, DTXSID001127023 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H20O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JEXUYOSYJIRTIF-KRWDZBQOSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.352 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.254 |
| Compound Name | (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.051382861538462 |
| Inchi | InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3/t17-/m0/s1 |
| Smiles | COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=C(C=C(C=C3OC)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Chama (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Artocarpus Champeden (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Artocarpus Gomezianus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Artocarpus Hirsutus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Artocarpus Incisa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Artocarpus Integer (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Artocarpus Integra (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Artocarpus Integrifolia (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Artocarpus Lacucha (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Artocarpus Lakoocha (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Artocarpus Nobilis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Artocarpus Rigidus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Artocarpus Styracifolius (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Betula Papyrifera (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Boswellia Papyrifera (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Osmanthus Heterophyllus (Plant) Rel Props:Reference: