Oxyayanin A
PubChem CID: 5281676
Connections displayed (default: 10).
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| Compound Synonyms | Oxyayanin A, Oxyanin A, 549-17-7, CHEBI:7854, DTXSID40415174, 5,2',5'-trihydroxy-3,7,4'-trimethoxyflavone, Flavone. 2',5,5'-trihydroxy-3,4',7-trimethoxy-, 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one, 2-(2,5-dihydroxy-4-methoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one, 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one, OXYAYANINA, CHEMBL491989, DTXCID30366025, LMPK12112516, Q27107598 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGJTXYKKHKRNIM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.741 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.629 |
| Compound Name | Oxyayanin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6576562153846157 |
| Inchi | InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-11(20)13(24-2)7-10(9)19/h4-7,19-21H,1-3H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3O)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Monochlamys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Baileya Pauciradiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Berberis Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Berberis Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Berberis Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Berberis Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Distemonanthus Benthamianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Xanthorhiza Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all