3,5-Dihydroxy-6,7-dimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
PubChem CID: 163081737
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACMJXJPDWRQIPO-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.208 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.523 |
| Compound Name | 3,5-Dihydroxy-6,7-dimethoxy-2-(4-methoxy-3-methylphenyl)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 | -4.0990298153846165 |
| Inchi | InChI=1S/C19H18O7/c1-9-7-10(5-6-11(9)23-2)18-17(22)15(20)14-12(26-18)8-13(24-3)19(25-4)16(14)21/h5-8,21-22H,1-4H3 |
| Smiles | CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O)OC |
| Nring | 3.0 |
| 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 Eupatorium Semiserratum (Plant) Rel Props:Source_db:cmaup_ingredients