Apuleisin
PubChem CID: 44259892
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| Compound Synonyms | Apuleisin, 34211-15-9, 2-(2,3-dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one, CHEBI:180423, LMPK12113050, 2-(2,3-Dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3-dihydroxy-4-methoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H16O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNHURUAFLJVHLD-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.583 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.327 |
| Compound Name | Apuleisin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.079 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 376.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.513183918518519 |
| Inchi | InChI=1S/C18H16O9/c1-24-8-5-4-7(12(19)13(8)20)17-18(26-3)16(23)11-9(27-17)6-10(25-2)14(21)15(11)22/h4-6,19-22H,1-3H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)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 Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients