Eburnamenin-20-one, 14,15-dihydro-14-hydroxy-, (14I+/-)-
PubChem CID: 102283820
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| Compound Synonyms | CHEMBL3780981, DTXSID801216272, Eburnamenin-20-one, 14,15-dihydro-14-hydroxy-, (14I+/-)-, 95456-46-5 |
|---|---|
| Topological Polar Surface Area | 45.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 523.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 1-[(15S,17S,19R)-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-15-yl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C19H22N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LOCVFDBBZXICKW-YTQUADARSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -1.556 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.247 |
| Compound Name | Eburnamenin-20-one, 14,15-dihydro-14-hydroxy-, (14I+/-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.901526617391305 |
| Inchi | InChI=1S/C19H22N2O2/c1-12(22)19-8-4-9-20-10-7-14-13-5-2-3-6-15(13)21(16(23)11-19)17(14)18(19)20/h2-3,5-6,16,18,23H,4,7-11H2,1H3/t16-,18-,19+/m0/s1 |
| Smiles | CC(=O)[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Pauciflora (Plant) Rel Props:Source_db:cmaup_ingredients