4-[(E)-2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
PubChem CID: 16080287
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 586.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C25H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVVFVBLYRGEPSP-XYOKQWHBSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.425 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.349 |
| Compound Name | 4-[(E)-2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 394.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.508675096551725 |
| Inchi | InChI=1S/C25H30O4/c1-16(2)6-10-20-19(12-8-18-9-13-22(26)24(28)14-18)21(11-7-17(3)4)25(29-5)15-23(20)27/h6-9,12-15,26-28H,10-11H2,1-5H3/b12-8+ |
| Smiles | CC(=CCC1=C(C(=C(C=C1O)OC)CC=C(C)C)/C=C/C2=CC(=C(C=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Sarrachoides (Plant) Rel Props:Source_db:cmaup_ingredients