Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(2-methylpropyl)-
PubChem CID: 9971118
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| Compound Synonyms | pterocellin A, 593235-02-0, Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(2-methylpropyl)-, CHEMBL403751, DTXSID40433510, 8-methoxy-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione |
|---|---|
| Topological Polar Surface Area | 59.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 8-methoxy-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H16N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BTUUUXQHYCECEX-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -4.085 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.795 |
| Compound Name | Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(2-methylpropyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.038910142857143 |
| Inchi | InChI=1S/C16H16N2O3/c1-9(2)6-11-15-10(4-5-17-11)16(20)12-7-13(19)14(21-3)8-18(12)15/h4-5,7-9H,6H2,1-3H3 |
| Smiles | CC(C)CC1=NC=CC2=C1N3C=C(C(=O)C=C3C2=O)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