Sollasin B
PubChem CID: 44575909
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sollasin B, CHEMBL483421 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (E)-3-methyl-N-[(3R)-2-oxopiperidin-3-yl]-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C20H32N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AETOKBXKVBFSTR-VBRACAIISA-N |
| Fcsp3 | 0.7 |
| Logs | -3.406 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.803 |
| Compound Name | Sollasin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.246 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 332.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.545025600000001 |
| Inchi | InChI=1S/C20H32N2O2/c1-14(10-11-20(4)15(2)7-5-8-16(20)3)13-18(23)22-17-9-6-12-21-19(17)24/h7,13,16-17H,5-6,8-12H2,1-4H3,(H,21,24)(H,22,23)/b14-13+/t16-,17-,20-/m1/s1 |
| Smiles | C[C@@H]1CCC=C([C@@]1(C)CC/C(=C/C(=O)N[C@@H]2CCCNC2=O)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Phlomidis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clerodendrum Splendens (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gnetum Parvifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Syzygium Jambos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all