6-Hydroxy-5,7,8-trimethoxy-2-phenylchromen-4-one
PubChem CID: 12591025
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| Compound Synonyms | CHEMBL452974, BDBM50412266 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-5,7,8-trimethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQRSFBPLYOVSRU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.842 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.704 |
| Compound Name | 6-Hydroxy-5,7,8-trimethoxy-2-phenylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3334173333333332 |
| Inchi | InChI=1S/C18H16O6/c1-21-15-13-11(19)9-12(10-7-5-4-6-8-10)24-16(13)18(23-3)17(22-2)14(15)20/h4-9,20H,1-3H3 |
| Smiles | COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)OC)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients