Tiegusanin N
PubChem CID: 44179428
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | tiegusanin N, 5-(4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl)-1,2,3-trimethoxybenzene, 5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2,3-trimethoxybenzene, CHEMBL556989, 5-[4-(3,4-dimethoxyphenyl)-2,3-dimethyl-butyl]-1,2,3-trimethoxy-benzene, 1156503-65-9 |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2,3-trimethoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C23H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDTABXKGPYKKJI-UHFFFAOYSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -5.361 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.062 |
| Compound Name | Tiegusanin N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.421267657142858 |
| Inchi | InChI=1S/C23H32O5/c1-15(10-17-8-9-19(24-3)20(12-17)25-4)16(2)11-18-13-21(26-5)23(28-7)22(14-18)27-6/h8-9,12-16H,10-11H2,1-7H3 |
| Smiles | CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C(=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all