5-(gamma,gamma-Dimethylallyl)-oxyresveratrol
PubChem CID: 11034312
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL463126, BDBM50269599, 5-(gamma,gamma-dimethylallyl)-oxyresveratrol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P35354 |
| Iupac Name | 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-6-(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT31 |
| Xlogp | 4.7 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYQWCQJWDVPXKY-GQCTYLIASA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.169 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.869 |
| Compound Name | 5-(gamma,gamma-Dimethylallyl)-oxyresveratrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.859749956521739 |
| Inchi | InChI=1S/C19H20O4/c1-12(2)3-5-14-9-15(19(23)11-18(14)22)6-4-13-7-16(20)10-17(21)8-13/h3-4,6-11,20-23H,5H2,1-2H3/b6-4+ |
| Smiles | CC(=CCC1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all