1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
PubChem CID: 155519670
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| Compound Synonyms | CHEMBL4447926 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKAXYCMKJMBSEG-VFNNOXKTSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -5.203 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.896 |
| Compound Name | 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.894794857142857 |
| Inchi | InChI=1S/C22H28O6/c1-14(22-20(27-6)12-16(24-3)13-21(22)28-7)8-9-17-18(25-4)10-15(23-2)11-19(17)26-5/h8-14H,1-7H3/b9-8+/t14-/m0/s1 |
| Smiles | C[C@@H](/C=C/C1=C(C=C(C=C1OC)OC)OC)C2=C(C=C(C=C2OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients