CID 23669384
PubChem CID: 23669384
Connections displayed (default: 10).
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| Compound Synonyms | Percicarin, CHEMBL471479 |
|---|---|
| Topological Polar Surface Area | 171.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 717.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | potassium, [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] sulfate |
| Prediction Hob | 1.0 |
| Molecular Formula | C16H11KO10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBHPUIPWBGHSKF-UHFFFAOYSA-M |
| Fcsp3 | 0.0625 |
| Logs | -3.741 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.283 |
| Compound Name | CID 23669384 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 433.971 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 433.971 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H12O10S.K/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15, /h2-6,17-19H,1H3,(H,21,22,23), /q, +1/p-1 |
| Smiles | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)[O-])O.[K+] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Persicaria Hydropiper (Plant) Rel Props:Source_db:cmaup_ingredients