4',5,7-Trihydroxy-3-methoxyflavanone
PubChem CID: 14164881
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| Compound Synonyms | 4',5,7-Trihydroxy-3-methoxyflavanone, Aromadendrin 3-methyl ether, CHEMBL4104143, SCHEMBL25439511, CHEBI:174888, 5,7,4'-trihydroxy-3-methoxyflavanone, NCGC00180245-01, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | JRLDUAGSJUMVDP-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4',5,7-Trihydroxy-3-methoxyflavanone, Aromadendrin 3-methyl ether |
| Heavy Atom Count | 22.0 |
| Compound Name | 4',5,7-Trihydroxy-3-methoxyflavanone |
| Description | Constituent of Prunus domestica (plum). Aromadendrin 3-methyl ether is found in fruits and european plum. |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H14O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,15-19H,1H3 |
| Smiles | COC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H14O6 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all