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Prenylterphenyllin

PubChem CID: 23630784

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Compound Synonyms PRENYLTERPHENYLLIN, CHEBI:67533, 959124-85-7, 2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol, 3',6'-dimethoxy-3-(3-methylbut-2-en-1-yl)-1,1':4',1''-terphenyl-2',4,4''-triol, 2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol, CHEMBL1795464, DTXSID601315915, BDBM50457902, Q27136002
Topological Polar Surface Area 79.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 552.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q2M2H8
Iupac Name 2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
Prediction Hob 1.0
Xlogp 6.0
Molecular Formula C25H26O5
Prediction Swissadme 0.0
Inchi Key YEVBMDOXFLFVJJ-UHFFFAOYSA-N
Fcsp3 0.2
Logs -3.686
Rotatable Bond Count 6.0
Logd 3.924
Compound Name Prenylterphenyllin
Prediction Hob Swissadme 0.0
Exact Mass 406.178
Formal Charge 0.0
Monoisotopic Mass 406.178
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 406.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.175563600000001
Inchi InChI=1S/C25H26O5/c1-15(2)5-6-17-13-18(9-12-21(17)27)23-22(29-3)14-20(25(30-4)24(23)28)16-7-10-19(26)11-8-16/h5,7-14,26-28H,6H2,1-4H3
Smiles CC(=CCC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0