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Prenylcandidusin B

PubChem CID: 53262877

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Compound Synonyms Prenylcandidusin B, CHEBI:67531, 2-(3-methylbut-2-en-1-yl)-4-(1,4,7,8-tetramethoxydibenzo[b,d]furan-3-yl)phenol, 1297472-19-5, 2-(3-methylbut-2-en-1-yl)-4-(1,4,7,8-tetramethoxydibenzo(b,d)furan-3-yl)phenol, CHEMBL1795462, DTXSID401315983, Q27136000, 2-(3-methylbut-2-enyl)-4-(1,4,7,8-tetramethoxydibenzofuran-3-yl)phenol
Topological Polar Surface Area 70.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 663.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(3-methylbut-2-enyl)-4-(1,4,7,8-tetramethoxydibenzofuran-3-yl)phenol
Prediction Hob 1.0
Xlogp 6.7
Molecular Formula C27H28O6
Prediction Swissadme 0.0
Inchi Key JIAZRMIMWOXXHE-UHFFFAOYSA-N
Fcsp3 0.2592592592592592
Logs -6.187
Rotatable Bond Count 7.0
Logd 4.121
Compound Name Prenylcandidusin B
Prediction Hob Swissadme 0.0
Exact Mass 448.189
Formal Charge 0.0
Monoisotopic Mass 448.189
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 448.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.837353606060608
Inchi InChI=1S/C27H28O6/c1-15(2)7-8-17-11-16(9-10-20(17)28)18-12-24(31-5)25-19-13-22(29-3)23(30-4)14-21(19)33-27(25)26(18)32-6/h7,9-14,28H,8H2,1-6H3
Smiles CC(=CCC1=C(C=CC(=C1)C2=CC(=C3C4=CC(=C(C=C4OC3=C2OC)OC)OC)OC)O)C
Nring 4.0
Defined Bond Stereocenter Count 0.0