Scuteamoenin
PubChem CID: 195603
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| Compound Synonyms | Scuteamoenin, 2',5,6'-Trihydroxy-7-methoxyflavanone, 129138-49-4, 2',5,6'-trihydroxy-7-methoxy-flavanone, (2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-, (S)-2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxychroman-4-one, DTXSID30926305, (2S)-2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one, (2s)-5,2',6'-trihydroxy-7-methoxyflavanone, 2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-4H-1-benzopyran-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 | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(2,6-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 | SAJHRQBGZMZGMA-AWEZNQCLSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.094 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.737 |
| Compound Name | Scuteamoenin |
| 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 | -3.5544847636363643 |
| Inchi | InChI=1S/C16H14O6/c1-21-8-5-11(19)16-12(20)7-14(22-13(16)6-8)15-9(17)3-2-4-10(15)18/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| Smiles | COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=C(C=CC=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crambe Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Parinari Campestris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stizophyllum Riparium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Utricularia Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients