(6Z)-6-[(3,4-dihydroxyphenyl)methylidene]-5-hydroxy-4-(4-hydroxyphenyl)pyran-2,3-dione
PubChem CID: 15559578
Connections displayed (default: 10).
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| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 613.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-6-[(3,4-dihydroxyphenyl)methylidene]-5-hydroxy-4-(4-hydroxyphenyl)pyran-2,3-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLZRNPOBVWGCKN-ZSOIEALJSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.977 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.376 |
| Compound Name | (6Z)-6-[(3,4-dihydroxyphenyl)methylidene]-5-hydroxy-4-(4-hydroxyphenyl)pyran-2,3-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 340.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5337794000000002 |
| Inchi | InChI=1S/C18H12O7/c19-11-4-2-10(3-5-11)15-16(22)14(25-18(24)17(15)23)8-9-1-6-12(20)13(21)7-9/h1-8,19-22H/b14-8- |
| Smiles | C1=CC(=CC=C1C2=C(/C(=C/C3=CC(=C(C=C3)O)O)/OC(=O)C2=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Derris Amazonica (Plant) Rel Props:Source_db:cmaup_ingredients