5-Hydroxy-7-methoxy-2-phenylchroman-4-one
PubChem CID: 4101463
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| Compound Synonyms | Pinostrobin, 5-Hydroxy-7-methoxyflavanone, 75291-74-6, 480-37-5, 5-hydroxy-7-methoxy-2-phenylchroman-4-one, (+/-)-Pinostrobin, 5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one, (S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone, 2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one, ()-Pinostrobin, ( inverted exclamation markA)-Pinostrobin, CHEMBL210800, SCHEMBL1485747, (2R)-5-hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, BCP09997, LMPK12140216, MFCD00017481, AKOS016009493, FP66572, XP180702, DB-051500, (+/-)-Pinostrobin, >=99.0% (TLC), 5-Hydroxy-7-methoxyflavanone (Tectochrysin), NS00074278, AM-573/21093010, 5-Hydroxy-7-methoxyflavanone, Pinocembrin-7-methyl ether, 7-Methoxy-5-hydroxyflavanone, Pinocembrin-7-methyl ether |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Pinostrobin, also known as 5-hydroxy-7-methoxyflavanone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, pinostrobin is considered to be a flavonoid lipid molecule. Pinostrobin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinostrobin can be found in a number of food items such as roman camomile, soursop, rocket salad, and angelica, which makes pinostrobin a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q15118 |
| Iupac Name | 5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ORJDDOBAOGKRJV-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.451 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.187 |
| Compound Name | 5-Hydroxy-7-methoxy-2-phenylchroman-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8437607999999996 |
| Inchi | InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3 |
| Smiles | COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sarcandra Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all