Koniamborine
PubChem CID: 11345225
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| Compound Synonyms | Koniamborine, 7-methoxy-5-methylpyrano[3,2-b]indol-4-one, 7-methoxy-5-methylpyrano(3,2-b)indol-4-one, CHEMBL486605, 860771-76-2 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-5-methylpyrano[3,2-b]indol-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C13H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MHWZBYSZMPRYHU-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.266 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.63 |
| Compound Name | Koniamborine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 229.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 229.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.827539352941176 |
| Inchi | InChI=1S/C13H11NO3/c1-14-10-7-8(16-2)3-4-9(10)13-12(14)11(15)5-6-17-13/h3-7H,1-2H3 |
| Smiles | CN1C2=C(C=CC(=C2)OC)C3=C1C(=O)C=CO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boronella Koniambiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all