Pterocellin D
PubChem CID: 24770102
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | pterocellin D, 8-methoxy-1-(2-methylpropyl)-6-propan-2-ylpyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(2-methylpropyl)-6-propan-2-ylpyrido(4,3-b)indolizine-5,7-dione, CHEMBL257382, 1000598-24-2 |
|---|---|
| Topological Polar Surface Area | 59.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 618.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-1-(2-methylpropyl)-6-propan-2-ylpyrido[4,3-b]indolizine-5,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H22N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YQHVSSSUUIVBQC-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -5.051 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.593 |
| Compound Name | Pterocellin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8865552 |
| Inchi | InChI=1S/C19H22N2O3/c1-10(2)8-13-16-12(6-7-20-13)18(22)17-15(11(3)4)19(23)14(24-5)9-21(16)17/h6-7,9-11H,8H2,1-5H3 |
| Smiles | CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)C(C)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Neorautanenia Mitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all