Stilbostemin D
PubChem CID: 15222503
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | STILBOSTEMIN D, 162411-68-9, 5-(2-Methoxyphenethyl)-2-methylbenzene-1,3-diol, 5-(2-(2-methoxyphenyl)ethyl)-2-methylbenzene-1,3-diol, 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol, CHEMBL462852, DTXSID701317433 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LLRJCKLNDNKRTF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.221 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.56 |
| Compound Name | Stilbostemin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.322433821052631 |
| Inchi | InChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3 |
| Smiles | CC1=C(C=C(C=C1O)CCC2=CC=CC=C2OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glechoma Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glechoma Longituba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all