Litseachromolaevane A
PubChem CID: 14889909
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| Compound Synonyms | Litseachromolaevane A, CHEMBL462703, (5S)-5-(2-hydroxy-5-methylphenyl)-6-methylheptan-2-one, 184420-09-5 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-(2-hydroxy-5-methylphenyl)-6-methylheptan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UFWXDPOVAJYDEP-ZDUSSCGKSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.083 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.241 |
| Compound Name | Litseachromolaevane A |
| 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 | 0.0 |
| Esol | -3.3219782705882355 |
| Inchi | InChI=1S/C15H22O2/c1-10(2)13(7-6-12(4)16)14-9-11(3)5-8-15(14)17/h5,8-10,13,17H,6-7H2,1-4H3/t13-/m0/s1 |
| Smiles | CC1=CC(=C(C=C1)O)[C@@H](CCC(=O)C)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all