Questin-2-olate
PubChem CID: 25203706
Connections displayed (default: 10).
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| Compound Synonyms | questin-2-olate, CHEBI:57676, Q27124854, 6-hydroxy-8-methoxy-3-methyl-9,10-dioxoanthracen-1-olate, 5-hydroxy-4-methoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | UUNPIWCQMVNINR-UHFFFAOYSA-M |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | Questin-2-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 283.061 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 283.061 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 283.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-8-methoxy-3-methyl-9,10-dioxoanthracen-1-olate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.868262942857143 |
| Inchi | InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3/p-1 |
| Smiles | CC1=CC2=C(C(=C1)[O-])C(=O)C3=C(C2=O)C=C(C=C3OC)O |
| Xlogp | 3.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H11O5- |
- 1. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rumex Patientia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Senna Tora (Plant) Rel Props:Source_db:cmaup_ingredients