Huperzine R
PubChem CID: 636646
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| Compound Synonyms | Huperzine R, (1S,6R)-6-methyl-2-oxa-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-3,8-dione, (1S,6R)-6-methyl-2-oxa-9-azatricyclo(7.4.3.04,13)hexadec-4(13)-ene-3,8-dione, CHEMBL510841 |
|---|---|
| Topological Polar Surface Area | 46.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,6R)-6-methyl-2-oxa-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-3,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H21NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNUJNSFROLCMND-MFKMUULPSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.159 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.152 |
| Compound Name | Huperzine R |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2160893999999995 |
| Inchi | InChI=1S/C15H21NO3/c1-10-8-12-11-4-2-6-16(14(17)9-10)7-3-5-13(11)19-15(12)18/h10,13H,2-9H2,1H3/t10-,13+/m1/s1 |
| Smiles | C[C@@H]1CC2=C3CCCN(CCC[C@@H]3OC2=O)C(=O)C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients