2-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one
PubChem CID: 14235159
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL458269 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPSSIDWEZCIQGA-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -1.644 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.725 |
| Compound Name | 2-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-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/c1-21-16-6-10(4-5-12(16)19)14-8-13(20)11-7-17(22-2)18(23-3)9-15(11)24-14/h4-9,19H,1-3H3 |
| Smiles | COC1=C(C=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cipadessa Baccifera (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Salvia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients