6-Hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID: 15485381
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| Compound Synonyms | SCHEMBL571676 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVONUTYSUPRVRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.79 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.611 |
| Compound Name | 6-Hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.396729815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-14-7-18(25-4)17(24-3)6-10(14)12-9-26-15-8-16(23-2)13(20)5-11(15)19(12)21/h5-9,20H,1-4H3 |
| Smiles | COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients