Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(phenylmethyl)-
PubChem CID: 10426008
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| Compound Synonyms | pterocellin B, 593235-03-1, 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione, Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(phenylmethyl)-, CHEMBL403752, DTXSID10439766 |
|---|---|
| Topological Polar Surface Area | 59.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 604.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-benzyl-8-methoxypyrido[4,3-b]indolizine-5,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKYCQYHSCUMMRT-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -3.847 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.789 |
| Compound Name | Pyrido[4,3-b]indolizine-5,7-dione, 8-methoxy-1-(phenylmethyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 318.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.589858399999999 |
| Inchi | InChI=1S/C19H14N2O3/c1-24-17-11-21-15(10-16(17)22)19(23)13-7-8-20-14(18(13)21)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3 |
| Smiles | COC1=CN2C(=CC1=O)C(=O)C3=C2C(=NC=C3)CC4=CC=CC=C4 |
| Nring | 4.0 |
| 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