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Dehydrolupinifolinol

PubChem CID: 16215899

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Compound Synonyms dehydrolupinifolinol, 5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, 5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, CHEMBL557501, 78876-35-4
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 31.0
Isotope Atom Count 0.0
Molecular Complexity 797.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Prediction Hob 1.0
Xlogp 5.7
Molecular Formula C25H24O6
Prediction Swissadme 0.0
Inchi Key GMVWMCZZGCSTMK-UHFFFAOYSA-N
Fcsp3 0.24
Logs -2.557
Rotatable Bond Count 3.0
Logd 3.752
Compound Name Dehydrolupinifolinol
Prediction Hob Swissadme 0.0
Exact Mass 420.157
Formal Charge 0.0
Monoisotopic Mass 420.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 420.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.875293683870968
Inchi InChI=1S/C25H24O6/c1-13(2)5-10-17-23-16(11-12-25(3,4)31-23)19(27)18-20(28)21(29)22(30-24(17)18)14-6-8-15(26)9-7-14/h5-9,11-12,26-27,29H,10H2,1-4H3
Smiles CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0