Uralstilbene
PubChem CID: 11783899
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| Compound Synonyms | Uralstilbene, XV57E5T3CV, UNII-XV57E5T3CV, 677709-69-2, 1,2-Benzenediol, 4-(2-(5-hydroxy-2-(3-methyl-2-butenyl)-3-((3-methyl-2-butenyl)oxy)phenyl)ethyl)-, 4-(2-(5-Hydroxy-2-(3-methyl-2-buten-1-yl)-3-((3-methyl-2-buten-1-yl)oxy)phenyl)ethyl)-1,2-benzenediol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-[5-hydroxy-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C24H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNTYXDBRBRYHOP-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.076 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.345 |
| Compound Name | Uralstilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 382.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0767428571428574 |
| Inchi | InChI=1S/C24H30O4/c1-16(2)5-9-21-19(8-6-18-7-10-22(26)23(27)13-18)14-20(25)15-24(21)28-12-11-17(3)4/h5,7,10-11,13-15,25-27H,6,8-9,12H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C(C=C1OCC=C(C)C)O)CCC2=CC(=C(C=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients