Sterehirsutinal
PubChem CID: 10901538
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sterehirsutinal, 2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde, C17H14O3, CHEBI:213085 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C17H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYBMAHHVQYMCBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.178 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.774 |
| Compound Name | Sterehirsutinal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6773352 |
| Inchi | InChI=1S/C17H14O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9-10,19-20H,1,3H2,2,4H3 |
| Smiles | CC(=C)C#CC1=CC(=C(C(=C1O)C=O)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 - 3. Outgoing r'ship
FOUND_INto/from Trema Dielsiana (Plant) Rel Props:Source_db:cmaup_ingredients