Pterocellin F
PubChem CID: 24770103
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | pterocellin F, 8-methoxy-6-((8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido(4,3-b)indolizin-6-yl)methyl)-1-(2-methylpropyl)pyrido(4,3-b)indolizine-5,7-dione, 8-methoxy-6-[[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]methyl]-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione, CHEMBL403552, 1000598-26-4 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-6-[[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]methyl]-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C33H32N4O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KHAWILXQMFECKH-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.754 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.482 |
| Compound Name | Pterocellin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.232 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.232 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 580.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.747597455813954 |
| Inchi | InChI=1S/C33H32N4O6/c1-16(2)11-22-26-18(7-9-34-22)32(40)28-20(30(38)24(42-5)14-36(26)28)13-21-29-33(41)19-8-10-35-23(12-17(3)4)27(19)37(29)15-25(43-6)31(21)39/h7-10,14-17H,11-13H2,1-6H3 |
| Smiles | CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C(=C3C2=O)CC4=C5C(=O)C6=C(N5C=C(C4=O)OC)C(=NC=C6)CC(C)C)OC |
| Nring | 6.0 |
| 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