(1S,2S,13R,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
PubChem CID: 102306584
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 60.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,13R,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C16H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUHDXXGJMVTAEM-XYPYXGAPSA-N |
| Fcsp3 | 0.8125 |
| Logs | -3.335 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.2 |
| Compound Name | (1S,2S,13R,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 277.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9628567999999995 |
| Inchi | InChI=1S/C16H23NO3/c1-10-7-11-8-13(18)14(19)12-3-6-17-5-2-4-16(11,20)15(12,17)9-10/h10-11,19-20H,2-9H2,1H3/t10-,11-,15+,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2CC(=O)C(=C3CCN4[C@]3(C1)[C@@]2(CCC4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients