2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4H-chromene-3,4-diol
PubChem CID: 5316834
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| Topological Polar Surface Area | 86.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4H-chromene-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C19H20O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JRYNOEBZHZTPOT-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.137 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.401 |
| Compound Name | 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4H-chromene-3,4-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4087828615384623 |
| Inchi | InChI=1S/C19H20O7/c1-22-12-6-5-10(7-14(12)23-2)19-18(21)17(20)11-8-15(24-3)16(25-4)9-13(11)26-19/h5-9,17,20-21H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(C3=CC(=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 Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients