Annofoline
PubChem CID: 5462440
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Annofoline, (1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one, 664-23-3, C09851, (15R)-5beta-Hydroxy-15-methyllycopodan-8-one, CHEBI:2741, Q27105797 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.6 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYIYXWHVYGBAKF-NVWMEEMDSA-N |
| Fcsp3 | 0.9375 |
| Logs | -1.671 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.766 |
| Compound Name | Annofoline |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4620621999999996 |
| Inchi | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12-,13-,14-,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@@H]4C1=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spinulum Annotinum (Plant) Rel Props:Source_db:npass_chem_all