4'-5-Dihydroxy-7-methoxyflavanone, 7-O-Methylnaringenin, Naringenin 7-O-methyl ether
PubChem CID: 348130
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| Compound Synonyms | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one, 520-29-6, (RS)-Sakuranetin, NSC-407228, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one, CHEMBL74852, NSC407228, 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, DTXSID10874774, MFCD07782262, MLS000876793, SCHEMBL555541, MEGxp0_000557, ACon1_000001, HMS2271F13, BDBM50049387, AKOS015965397, 5,4''-Dihydroxy-7-o-methoxyflavanone, FS66817, NCGC00168885-01, AC-20247, AC-34929, SMR000440561, NS00015854, Flavanone,5-dihydroxy-7-methoxy-, (S)-(-)-, AM-573/21243006, L000892, BRD-A32263173-001-01-2, 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one #, 4'-5-Dihydroxy-7-methoxyflavanone, 7-O-Methylnaringenin, Naringenin 7-O-methyl ether, 4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, 4H-1-Benzopyran-4-one,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-, 112-126-4 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25099, P30543, P0DMS8, P28647, Q9NUW8, P10636, P00352, Q962Y6, P02791, Q13315, P51450, P04062, Q96QE3, Q13951, P11473, P83916, Q9Y253, P84022, O75496, Q99700, Q13526, Q13148, Q15118 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT218, NPT50, NPT51, NPT94, NPT524 |
| Xlogp | 2.7 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DJOJDHGQRNZXQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.151 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.92 |
| Compound Name | 4'-5-Dihydroxy-7-methoxyflavanone, 7-O-Methylnaringenin, Naringenin 7-O-methyl ether |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7013117428571434 |
| Inchi | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3 |
| Smiles | COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Campestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Pseudocerasus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all