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Mucusisoflavone C

PubChem CID: 53344647

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Compound Synonyms Mucusisoflavone C, CHEBI:69743, CHEMBL1812485, 8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, 8-{1-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]-3-methylbut-2-en-1-yl}-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-1-benzopyran-4-one, Mucusisoflavone, 8-(1-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl)-3-methylbut-2-en-1-yl)-5,7-dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-4H-1-benzopyran-4-one, 8-(1-(5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl)-3-methylbut-2-enyl)-5,7-dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)chromen-4-one, BDBM50349974, Q27138088, 8-[1-[5-(5,7-dihydroxy-4-oxo-chromen-3-yl)-2-hydroxy-phenyl]-3-methyl-but-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Topological Polar Surface Area 174.0
Hydrogen Bond Donor Count 6.0
Heavy Atom Count 50.0
Isotope Atom Count 0.0
Molecular Complexity 1390.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q965D5
Iupac Name 8-[1-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenyl]-3-methylbut-2-enyl]-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Prediction Hob 0.0
Xlogp 8.7
Molecular Formula C40H34O10
Prediction Swissadme 0.0
Inchi Key HCKWMBTVENMFOU-UHFFFAOYSA-N
Fcsp3 0.15
Logs -2.007
Rotatable Bond Count 7.0
Logd 2.935
Compound Name Mucusisoflavone C
Prediction Hob Swissadme 0.0
Exact Mass 674.215
Formal Charge 0.0
Monoisotopic Mass 674.215
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 674.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -8.532952400000001
Inchi InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
Smiles CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3C(C=C(C)C)C4=C(C=CC(=C4)C5=COC6=CC(=CC(=C6C5=O)O)O)O)O)O)O)C
Nring 6.0
Defined Bond Stereocenter Count 0.0

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