4-ethoxy-6-methoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
PubChem CID: 44559488
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL456854, E565, E586 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethoxy-6-methoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.5 |
| Molecular Formula | C24H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUAPARZKDSPGMY-NQLNTKRDSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.9 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.848 |
| Compound Name | 4-ethoxy-6-methoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.123669028571428 |
| Inchi | InChI=1S/C24H36O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21(27-3)19-22(24(20)26)28-5-2/h4,7-8,10-11,19,25-26H,1,5-6,9,12-18H2,2-3H3/b8-7-,11-10- |
| Smiles | CCOC1=C(C(=C(C(=C1)OC)O)CCCCCCC/C=C\C/C=C\CC=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sorghum Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all