5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone
PubChem CID: 9795270
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| Compound Synonyms | 5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone, CHEMBL1950586, CHEBI:81312, 5-hydroxy-1-(4-hydroxyphenyl)decan-3-one, SCHEMBL5702640, BDBM50364449, C17747, Q27155249 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q6RI86, Q8NER1 |
| Iupac Name | 5-hydroxy-1-(4-hydroxyphenyl)decan-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT472 |
| Xlogp | 3.1 |
| Molecular Formula | C16H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRMHHBSZEGRPOM-UHFFFAOYSA-N |
| Fcsp3 | 0.5625 |
| Logs | -2.829 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.879 |
| Compound Name | 5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.090647210526315 |
| Inchi | InChI=1S/C16H24O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,17-18H,2-5,8,11-12H2,1H3 |
| Smiles | CCCCCC(CC(=O)CCC1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all