6,7-Dehydroleuconoxine
PubChem CID: 134949938
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Melodinine E, 6,7-dehydroleuconoxine, CHEMBL5440580, DTXSID301046141, 1207530-25-3 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 627.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6,8-tetraene-10,18-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C19H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LUXCFVAZXZITNG-MOPGFXCFSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -5.009 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.831 |
| Compound Name | 6,7-Dehydroleuconoxine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 308.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9185056782608703 |
| Inchi | InChI=1S/C19H20N2O2/c1-2-18-9-5-11-20-17(23)12-14-13-6-3-4-7-15(13)21(19(14,18)20)16(22)8-10-18/h3-4,6-7,12H,2,5,8-11H2,1H3/t18-,19+/m1/s1 |
| Smiles | CC[C@]12CCCN3[C@]14C(=CC3=O)C5=CC=CC=C5N4C(=O)CC2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleus Xanthanthus (Plant) Rel Props:Source_db:cmaup_ingredients