(1R,2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID: 10956867
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.6 |
| Molecular Formula | C16H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZIFWVZIDXAANJA-ZLTXHLNPSA-N |
| Fcsp3 | 0.9375 |
| Logs | -6.394 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.831 |
| Compound Name | (1R,2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 279.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9501055999999994 |
| Inchi | InChI=1S/C16H25NO3/c1-11-8-12-9-13(18)15(20)5-3-7-17-6-2-4-14(12,19)16(15,17)10-11/h11-12,19-20H,2-10H2,1H3/t11-,12+,14+,15+,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)[C@]3(CCCN4[C@]3(C1)[C@@]2(CCC4)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients