(1R,2R,10S,11S,12S,13R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol
PubChem CID: 11021729
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,10S,11S,12S,13R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QNTZOBVSDAZRHK-FGZZBPHYSA-N |
| Fcsp3 | 0.875 |
| Logs | -3.957 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.145 |
| Compound Name | (1R,2R,10S,11S,12S,13R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol |
| 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 | -2.1344118 |
| Inchi | InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3/t11-,12-,13-,14+,15+,16-/m1/s1 |
| Smiles | CC1=C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients