Khrinone C
PubChem CID: 44613668
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| Compound Synonyms | khrinone C, CHEMBL1079791, 5,7-dihydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-4-one, 1201493-81-3 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIOWCXKLRMGGLF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.642 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.387 |
| Compound Name | Khrinone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3297437333333333 |
| Inchi | InChI=1S/C17H14O7/c1-22-12-4-3-9(17(23-2)16(12)21)10-7-24-13-6-8(18)5-11(19)14(13)15(10)20/h3-7,18-19,21H,1-2H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all