Isoamoenylin
PubChem CID: 3084744
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isoamoenylin, 39499-95-1, 4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, Phenol, 4-(2-(3,4,5-trimethoxyphenyl)ethy)-, CHEMBL313688, SCHEMBL9089503, DTXSID10192642, WYMYMRJMKNLHSF-UHFFFAOYSA-N, 4-[2-(3,4,5-Trimethoxy-phenyl)-ethyl]-phenol, 1-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WYMYMRJMKNLHSF-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.736 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.272 |
| Compound Name | Isoamoenylin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.746183742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h6-11,18H,4-5H2,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Amoenum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all