11-(2,6-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
PubChem CID: 11418215
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| Compound Synonyms | 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one, 1-Undecanone, 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-(2,6-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C23H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYQJQTJFCKNRBH-UHFFFAOYSA-N |
| Fcsp3 | 0.4347826086956521 |
| Logs | -3.415 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.991 |
| Compound Name | 11-(2,6-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 402.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.894226296551725 |
| Inchi | InChI=1S/C23H30O6/c24-16-14-21(28)23(22(29)15-16)20(27)11-8-6-4-2-1-3-5-7-10-17-18(25)12-9-13-19(17)26/h9,12-15,24-26,28-29H,1-8,10-11H2 |
| Smiles | C1=CC(=C(C(=C1)O)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