Lespeflorin E1
PubChem CID: 25243078
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| Compound Synonyms | Lespeflorin E1, CHEMBL560441, 3-(4-hydroxy-2,3-dimethoxyphenyl)-8-methoxy-2H-chromen-7-ol |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2,3-dimethoxyphenyl)-8-methoxy-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQIIEUWMLQSINE-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.314 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.071 |
| Compound Name | Lespeflorin E1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6572832 |
| Inchi | InChI=1S/C18H18O6/c1-21-16-12(5-7-14(20)18(16)23-3)11-8-10-4-6-13(19)17(22-2)15(10)24-9-11/h4-8,19-20H,9H2,1-3H3 |
| Smiles | COC1=C(C=CC(=C1OC)O)C2=CC3=C(C(=C(C=C3)O)OC)OC2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all