Deoxyschizandrin,(S)
PubChem CID: 19020980
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Deoxyschizandrin,(S), SCHEMBL7445824, ZEWNZUWKGUGEKA-UHFFFAOYSA-N, PD056335, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxydibenzo[a,c]cyclooctene |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5,14,15,16-hexamethoxytricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C22H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZEWNZUWKGUGEKA-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.937 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.482 |
| Compound Name | Deoxyschizandrin,(S) |
| Prediction Hob Swissadme | 1.0 |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.162094857142859 |
| Inchi | InChI=1S/C22H28O6/c1-23-15-11-13-9-7-8-10-14-12-16(24-2)20(26-4)22(28-6)18(14)17(13)21(27-5)19(15)25-3/h11-12H,7-10H2,1-6H3 |
| Smiles | COC1=C(C(=C2C(=C1)CCCCC3=CC(=C(C(=C32)OC)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients