Alpinone
PubChem CID: 5317747
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| Compound Synonyms | Alpinone, 7-O-Methylpinobanksin, 480-13-7, Flavanone, 3,5-dihydroxy-7-methoxy-, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-7-methoxy-2-phenyl-, (2R-trans)-, 3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one, 2,3-Dihydro-3,5-dihydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one (2R-trans)-, 7-O-Methylpinobanksin, Alpinone, SCHEMBL17485808, DTXSID90963978, 3,5-dihydroxy-7-methoxyflavanone, 3,5-Dihydroxy-7-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-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 | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPOCKDYYXFOBCM-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -1.786 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.536 |
| Compound Name | Alpinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.159511742857143 |
| Inchi | InChI=1S/C16H14O5/c1-20-10-7-11(17)13-12(8-10)21-16(15(19)14(13)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=CC=C3)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients