3,5,7-Trihydroxy-2-(2-hydroxy-6-methylphenyl)chromen-4-one
PubChem CID: 162948444
Connections displayed (default: 10).
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 487.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(2-hydroxy-6-methylphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJUMUMWJYIOICG-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.749 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.45 |
| Compound Name | 3,5,7-Trihydroxy-2-(2-hydroxy-6-methylphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.629131018181818 |
| Inchi | InChI=1S/C16H12O6/c1-7-3-2-4-9(18)12(7)16-15(21)14(20)13-10(19)5-8(17)6-11(13)22-16/h2-6,17-19,21H,1H3 |
| Smiles | CC1=C(C(=CC=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)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 Helichrysum Lindleyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Parinari Campestris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Stizophyllum Riparium (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Utricularia Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Vincetoxicum Amplexicaule (Plant) Rel Props:Source_db:cmaup_ingredients