Sterehirsutinol
PubChem CID: 11000049
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| Compound Synonyms | Sterehirsutinol, 3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol, CHEBI:203590 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BRMAAADEEFMXPX-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.494 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.799 |
| Compound Name | Sterehirsutinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4693344 |
| Inchi | InChI=1S/C17H16O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9,18-20H,1,3,10H2,2,4H3 |
| Smiles | CC(=C)C#CC1=CC(=C(C(=C1O)CO)C#CC(=C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Maideni (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pachysandra Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients