6-Ethoxychelerythrine
PubChem CID: 5317228
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| Compound Synonyms | 6-Ethoxychelerythrine, Ethoxychelerythrine, Ethoxychelerythrin, 6-Ethoxydihydrochelerythrine, SCHEMBL13103363 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H23NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OXEZOWCIRUNPIN-UHFFFAOYSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -4.556 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.734 |
| Compound Name | 6-Ethoxychelerythrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 393.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 393.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.321597662068966 |
| Inchi | InChI=1S/C23H23NO5/c1-5-27-23-20-14(8-9-17(25-3)22(20)26-4)15-7-6-13-10-18-19(29-12-28-18)11-16(13)21(15)24(23)2/h6-11,23H,5,12H2,1-4H3 |
| Smiles | CCOC1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients