Leuconoxine
PubChem CID: 70698272
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| Compound Synonyms | Leuconoxine, (8S,15R)-15-ethyl-1,11-diazapentacyclo(9.7.1.02,7.08,19.015,19)nonadeca-2,4,6-triene-10,18-dione, (8S,15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione, CHEBI:70514, Q27138846, 155416-24-3 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8S,15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C19H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RNBQHSCFWXNVOE-BQGOGBDGSA-N |
| Fcsp3 | 0.5789473684210527 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Leuconoxine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.168 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 310.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0633048782608707 |
| Inchi | InChI=1S/C19H22N2O2/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/h3-4,6-7,14H,2,5,8-12H2,1H3/t14-,18+,19?/m0/s1 |
| Smiles | CC[C@]12CCCN3C14[C@@H](CC3=O)C5=CC=CC=C5N4C(=O)CC2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Spatulata (Plant) Rel Props:Source_db:cmaup_ingredients