1-(2,4,6-Trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
PubChem CID: 11234557
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| Compound Synonyms | 1-(2,4,6-trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C23H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRAWWRGYJVWEDK-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -3.326 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.204 |
| Compound Name | 1-(2,4,6-Trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 386.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.780768457142858 |
| Inchi | InChI=1S/C23H30O5/c24-18-15-21(27)23(22(28)16-18)20(26)14-8-6-4-2-1-3-5-7-11-17-12-9-10-13-19(17)25/h9-10,12-13,15-16,24-25,27-28H,1-8,11,14H2 |
| Smiles | C1=CC=C(C(=C1)CCCCCCCCCCC(=O)C2=C(C=C(C=C2O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients