Chrysosplenol F
PubChem CID: 5491448
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| Compound Synonyms | CHRYSOSPLENOL F, 135463-10-4, 2-(2,4-Dihydroxy-5-methoxy-phenyl)-5-hydroxy-3,7-dimethoxychromen-4-one, CHEMBL484866, DTXSID00159385, LMPK12112525 |
|---|---|
| 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-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJFLYDSOXABNGE-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.77 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.606 |
| Compound Name | Chrysosplenol F |
| 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)9-6-13(24-2)11(20)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)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysosplenium Grayanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all