Schizandrol B
PubChem CID: 634470
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| Compound Synonyms | Schisandrol B, Gomisin A, 58546-54-6, Schizandrol B, (+)-Gomisin A, Gomisin-A, TJN-101, Wuweizi alcohol-B, 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol, 1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol, NCGC00183134-01, Gomisin A, Wuweizichun B, Gomisin A, Wuweizichun B, SCHEMBL2109595, DTXSID90860731, ZWRRJEICIPUPHZ-UHFFFAOYSA-N, Schizandrol B - Bio-X trade mark, MFCD01941645, FS65449, BS300127, LS-15009, (+)-(6S,7S, Biar-R)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol, (6S,7S,13aR)- 5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol, 1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-11H-benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol, 1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-6-ol, (6S,7S,13aR)-, 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0(2),?.0(1)?,(1)?]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol |
|---|---|
| Topological Polar Surface Area | 75.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C23H28O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZWRRJEICIPUPHZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -4.535 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.233 |
| Compound Name | Schizandrol B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 416.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 416.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.911114000000001 |
| Inchi | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3 |
| Smiles | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all