3',4-Diacetyl-2,2',3,6'-tetrahydroxy-biphenyl
PubChem CID: 101931848
Connections displayed (default: 10).
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| Compound Synonyms | 3',4-diacetyl-2,2',3,6'-tetrahydroxy-biphenyl |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[4-(3-acetyl-2,6-dihydroxyphenyl)-2,3-dihydroxyphenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWXVHDBBWJSGOT-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.233 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.623 |
| Compound Name | 3',4-Diacetyl-2,2',3,6'-tetrahydroxy-biphenyl |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5577847636363638 |
| Inchi | InChI=1S/C16H14O6/c1-7(17)9-5-6-12(19)13(14(9)20)11-4-3-10(8(2)18)15(21)16(11)22/h3-6,19-22H,1-2H3 |
| Smiles | CC(=O)C1=C(C(=C(C=C1)C2=C(C=CC(=C2O)C(=O)C)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Urucurana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cynanchum Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Indigofera Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Tortuosum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Randia Formosa (Plant) Rel Props:Source_db:cmaup_ingredients