(5E,7E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one
PubChem CID: 162958276
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5E,7E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VJTLYZMVAHGVGD-NNOXNVAKSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.689 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.295 |
| Compound Name | (5E,7E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,5,7,11-tetraen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.1397017999999997 |
| Inchi | InChI=1S/C15H22O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6-8,10-11,17H,1,9H2,2-5H3/b8-7+,13-11+/t15-/m1/s1 |
| Smiles | CC(=CC(=O)/C=C(\C)/C=C/C[C@@](C)(C=C)O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients