3',4'-Dihydroxy-5,2'-dimethoxy-6,7-methylendioxy isoflavone
PubChem CID: 91421826
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| Compound Synonyms | 3',4'-dihydroxy-5,2'-dimethoxy-6,7-methylendioxy isoflavone |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(3,4-dihydroxy-2-methoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C18H14O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCEVHSPPJOUMKY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.806 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.391 |
| Compound Name | 3',4'-Dihydroxy-5,2'-dimethoxy-6,7-methylendioxy isoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2260570153846158 |
| Inchi | InChI=1S/C18H14O8/c1-22-16-8(3-4-10(19)15(16)21)9-6-24-11-5-12-17(26-7-25-12)18(23-2)13(11)14(9)20/h3-6,19,21H,7H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1O)O)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Setaceus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Yedoensis (Plant) Rel Props:Source_db:cmaup_ingredients