6-Hydroxyhuperzine A
PubChem CID: 5388290
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| Compound Synonyms | 6-Hydroxyhuperzine A, NS00094249 |
|---|---|
| Topological Polar Surface Area | 75.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,8R,9R,13E)-1-amino-13-ethylidene-8-hydroxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C15H18N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WFICABZBCMBKJQ-DYAREHIISA-N |
| Fcsp3 | 0.4 |
| Logs | -2.483 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.576 |
| Compound Name | 6-Hydroxyhuperzine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.6815240105263158 |
| Inchi | InChI=1S/C15H18N2O2/c1-3-10-9-6-8(2)7-15(10,16)11-4-5-12(18)17-13(11)14(9)19/h3-6,9,14,19H,7,16H2,1-2H3,(H,17,18)/b10-3+/t9-,14-,15-/m1/s1 |
| Smiles | C/C=C/1\[C@H]2C=C(C[C@@]1(C3=C([C@@H]2O)NC(=O)C=C3)N)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Selago (Plant) Rel Props:Source_db:cmaup_ingredients