5-O-Methyloxyayanin-A
PubChem CID: 12313850
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-O-Methyloxyayanin-A, LMPK12112527, 2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,7-trimethoxychromen-4-one, 21722-25-8 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,7-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXRNTXFGNDFPHS-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.97 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.66 |
| Compound Name | 5-O-Methyloxyayanin-A |
| 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 | -3.5168575185185196 |
| Inchi | InChI=1S/C19H18O8/c1-23-9-5-14(25-3)16-15(6-9)27-18(19(26-4)17(16)22)10-7-12(21)13(24-2)8-11(10)20/h5-8,20-21H,1-4H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C=C3O)OC)O)OC |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Baileya Pauciradiata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients