Osthol hydrate
PubChem CID: 10659145
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| Compound Synonyms | Osthol hydrate, 69219-24-5, 8-(3-Hydroxy-3-methylbutyl)-7-methoxychromen-2-one, Ostholhydrate, 2'-Deoxymeranzin hydrate, CHEMBL299099, CHEBI:132625, 8-(3-hydroxy-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, HY-N7037, UCA21924, AKOS032949128, FS-7141, DA-76481, 8-(3'-hydroxyisopentyl)-7-methoxycoumarin, CS-0101690, G90525, 8-(3-Hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(3-hydroxy-3-methylbutyl)-7-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FYGJNTORCNKCGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.987 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.866 |
| Compound Name | Osthol hydrate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.057964684210526 |
| Inchi | InChI=1S/C15H18O4/c1-15(2,17)9-8-11-12(18-3)6-4-10-5-7-13(16)19-14(10)11/h4-7,17H,8-9H2,1-3H3 |
| Smiles | CC(C)(CCC1=C(C=CC2=C1OC(=O)C=C2)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all