Geranyl Gallate
PubChem CID: 10946694
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| Compound Synonyms | Geranyl gallate, CHEMBL85907, [(2E)-3,7-dimethylocta-2,6-dienyl] 3,4,5-trihydroxybenzoate, ((2E)-3,7-dimethylocta-2,6-dienyl) 3,4,5-trihydroxybenzoate, SCHEMBL4742151, SCHEMBL4742152, BDBM50093878, 3,4,5-Trihydroxy-benzoic acid (E)-3,7-dimethyl-octa-2,6-dienyl ester |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P52020 |
| Iupac Name | [(2E)-3,7-dimethylocta-2,6-dienyl] 3,4,5-trihydroxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MSJJHLNDRMIKET-KPKJPENVSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.637 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.091 |
| Compound Name | Geranyl Gallate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 306.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.043337781818182 |
| Inchi | InChI=1S/C17H22O5/c1-11(2)5-4-6-12(3)7-8-22-17(21)13-9-14(18)16(20)15(19)10-13/h5,7,9-10,18-20H,4,6,8H2,1-3H3/b12-7+ |
| Smiles | CC(=CCC/C(=C/COC(=O)C1=CC(=C(C(=C1)O)O)O)/C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sargentodoxa Cuneata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all