Harperamone
PubChem CID: 71681402
Connections displayed (default: 10).
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| Compound Synonyms | HARPERAMONE, CHEMBL2398515, 5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-methylchromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UUVNKBQUZCHOSE-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.931 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.14 |
| Compound Name | Harperamone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 292.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.906333152380953 |
| Inchi | InChI=1S/C16H20O5/c1-9-7-11(17)14-12(18)8-13(20-4)10(15(14)21-9)5-6-16(2,3)19/h7-8,18-19H,5-6H2,1-4H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CCC(C)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Harrisonia Perforata (Plant) Rel Props:Source_db:npass_chem_all