1-(2,6-Dihydroxy-4-methoxy-phenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one
PubChem CID: 11395926
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| Compound Synonyms | ARDISINONE C, CHEMBL456514, 1-(2,6-dihydroxy-4-methoxy-phenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one, 1-Undecanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-11-(2,6-dihydroxyphenyl)- |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | JLRAGNLAEWIHBK-UHFFFAOYSA-N |
| Fcsp3 | 0.4583333333333333 |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 1-(2,6-Dihydroxy-4-methoxy-phenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.22 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 416.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,6-dihydroxy-4-methoxyphenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -6.112886800000001 |
| Inchi | InChI=1S/C24H32O6/c1-30-17-15-22(28)24(23(29)16-17)21(27)12-9-7-5-3-2-4-6-8-11-18-19(25)13-10-14-20(18)26/h10,13-16,25-26,28-29H,2-9,11-12H2,1H3 |
| Smiles | COC1=CC(=C(C(=C1)O)C(=O)CCCCCCCCCCC2=C(C=CC=C2O)O)O |
| Xlogp | 6.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H32O6 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients