3-Methoxyminimiflorin
PubChem CID: 10433154
Connections displayed (default: 10).
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| Compound Synonyms | 3-methoxyminimiflorin, CHEMBL521624, DTXSID401101344, 259812-80-1, 2H,6H-Benzo[1,2-b:5,4-ba(2)]dipyran-6-one, 7,8-dihydro-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-, (7R,8R)- |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (7R,8R)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZQNJQIORXQNFHJ-RPBOFIJWSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -2.838 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.865 |
| Compound Name | 3-Methoxyminimiflorin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0752248 |
| Inchi | InChI=1S/C26H28O6/c1-14(2)10-11-17-22-16(12-13-26(3,4)32-22)20(28)19-21(29)25(30-5)24(31-23(17)19)15-8-6-7-9-18(15)27/h6-10,12-13,24-25,27-28H,11H2,1-5H3/t24-,25+/m1/s1 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1O[C@@H]([C@H](C3=O)OC)C4=CC=CC=C4O)O)C=CC(O2)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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