1,9-Ethanobenzo[i]quinolizin-14-one, dodecahydro-8a-hydroxy-11-methyl-, (1S,8aR,9S,11R,12aS)-
PubChem CID: 621853
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| Compound Synonyms | Isolycodolin, Isolycodoline, Pseudoselagin, Pseudoselagine, Pseudoseletine, 12-Epilycodoline, Alkaloid L 23, DBMXKPOCXQNWOQ-UHFFFAOYSA-N, Alkaloid L 23, from Lycopodium selago, 12-Hydroxy-15-methyllycopodan-5-one #, 1,9-Ethanobenzo[i]quinolizine, lycopodan-5-one deriv., Lycopodan-5-one, 12-hydroxy-15-methyl-, (12.alpha.,15R)-, 1,9-Ethanobenzo[i]quinolizin-14-one, dodecahydro-8a-hydroxy-11-methyl-, (1S,8aR,9S,11R,12aS)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.4 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBMXKPOCXQNWOQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -2.566 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.468 |
| Compound Name | 1,9-Ethanobenzo[i]quinolizin-14-one, dodecahydro-8a-hydroxy-11-methyl-, (1S,8aR,9S,11R,12aS)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3234621999999994 |
| Inchi | InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3 |
| Smiles | CC1CC2CC(=O)C3CCCN4C3(C1)C2(CCC4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Huperzia Selago (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all