Sollasin C
PubChem CID: 44575910
Connections displayed (default: 10).
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| Compound Synonyms | Sollasin C, CHEMBL520635 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 564.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (E)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C21H34N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVDZALYKOIJILQ-HDZMUBKSSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -3.336 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.72 |
| Compound Name | Sollasin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.262 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 346.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.858793 |
| Inchi | InChI=1S/C21H34N2O2/c1-15(11-12-21(4)16(2)8-7-9-17(21)3)14-19(24)23-18-10-5-6-13-22-20(18)25/h8,14,17-18H,5-7,9-13H2,1-4H3,(H,22,25)(H,23,24)/b15-14+/t17-,18-,21-/m1/s1 |
| Smiles | C[C@@H]1CCC=C([C@@]1(C)CC/C(=C/C(=O)N[C@@H]2CCCCNC2=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