Apuleidin
PubChem CID: 44259519
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| Compound Synonyms | Apuleidin, 34318-36-0, LMPK12112521, 2'-hydroxy 3,7,4'-trimethylquercetin, 2-(2,3-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXXWSXJTUHATSJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.802 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.357 |
| Compound Name | Apuleidin |
| 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/c1-23-8-6-10(19)13-12(7-8)26-17(18(25-3)16(13)22)9-4-5-11(24-2)15(21)14(9)20/h4-7,19-21H,1-3H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)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 - 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