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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