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3-Geranyl-2,4,6-trihydroxybenzophenone

PubChem CID: 6477676

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Compound Synonyms 3-geranyl-2,4,6-trihydroxybenzophenone, CHEBI:65958, [3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone, {3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone, CHEMBL481047, SCHEMBL24075663, DTXSID901135287, 70219-87-3, Q27134459, [3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]phenylmethanone, [3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-phenyl-methanone, {3-[(2E)-3,7-Dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl}(phenyl)methanone
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 541.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
Prediction Hob 1.0
Xlogp 6.5
Molecular Formula C23H26O4
Prediction Swissadme 0.0
Inchi Key ZAIQNYMNZNXUAF-FOWTUZBSSA-N
Fcsp3 0.2608695652173913
Logs -3.58
Rotatable Bond Count 7.0
Logd 4.145
Compound Name 3-Geranyl-2,4,6-trihydroxybenzophenone
Prediction Hob Swissadme 0.0
Exact Mass 366.183
Formal Charge 0.0
Monoisotopic Mass 366.183
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 366.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -6.09282228888889
Inchi InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+
Smiles CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)/C)C
Nring 2.0
Defined Bond Stereocenter Count 1.0