5,6,8,3',6'-Pentamethoxy flavone
PubChem CID: 25022469
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| Compound Synonyms | CHEMBL498139, 5,6,8,3',6'-pentamethoxy flavone |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dimethoxyphenyl)-5,6,8-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQPMEFLLFKGIJL-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.757 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.984 |
| Compound Name | 5,6,8,3',6'-Pentamethoxy flavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-11-6-7-14(23-2)12(8-11)15-9-13(21)18-19(26-5)16(24-3)10-17(25-4)20(18)27-15/h6-10H,1-5H3 |
| Smiles | COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=CC(=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulate (Plant) Rel Props:Source_db:npass_chem_all