7-O-Methyleriodictyol
PubChem CID: 1268276
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| Compound Synonyms | 7-O-Methyleriodictyol, 51857-11-5, Sterubin, 0IT00NY6AC, UNII-0IT00NY6AC, (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one, 7-O-methyl-eriodictyol, 7-METHYLERIODICTYOL, 7-Methoxy-5,3',4'-trihydroxyflavanone, DTXSID70199819, ERIODICTYOL 7-METHYL ETHER, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5-HYDROXY-7-METHOXY-, (2S)-, (2S)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE, SCHEMBL17626618, DTXCID80122310, 7-Methyleriodictyol, 7-O-Methyleriodictyol, Eriodictyol 7-methyl ether, Sternbin, DSAJORLEPQBKDA-AWEZNQCLSA-N, GLXC-17926, HY-N2754, AKOS032962459, FS-9958, AC-34795, DA-60581, CS-0023259, E87132, Q3387412, (S)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSAJORLEPQBKDA-AWEZNQCLSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.282 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.685 |
| Compound Name | 7-O-Methyleriodictyol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.466284763636364 |
| Inchi | InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| Smiles | COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC(=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Virola Surinamensis (Plant) Rel Props:Source_db:cmaup_ingredients