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5-Hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

PubChem CID: 11103936

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Compound Synonyms 13738-92-6, CHEMBL3589106, 5-hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one, BDBM50522700
Topological Polar Surface Area 130.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 44.0
Isotope Atom Count 0.0
Molecular Complexity 1020.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P05067
Iupac Name 5-hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Nih Violation False
Prediction Hob 1.0
Xlogp 6.3
Is Pains False
Molecular Formula C34H26O10
Prediction Swissadme 0.0
Inchi Key KQVQZFVRSOIPIV-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -6.6
Rotatable Bond Count 7.0
Logd 2.76
Compound Name 5-Hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 594.153
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 594.153
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 594.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.601328218181819
Inchi InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)25-13-21(35)29-23(37)15-27(41-3)31(33(29)43-25)32-28(42-4)16-24(38)30-22(36)14-26(44-34(30)32)18-7-11-20(40-2)12-8-18/h5-16,37-38H,1-4H3
Smiles COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)OC)O)OC
Nring 6.0
Defined Bond Stereocenter Count 0.0