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Confluentin

PubChem CID: 10381750

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Compound Synonyms confluentin, 585534-03-8, (2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethylchromen-5-ol, (R,E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-2,7-dimethyl-2H-chromen-5-ol, (2R)-2-((3E)-4,8-dimethylnona-3,7-dienyl)-2,7-dimethylchromen-5-ol, starbld0007834, CHEMBL449069, (2R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-2,7-dimethyl-2H-1-benzopyran-5-ol, HY-N3615, AKOS040762819, FS-10049, CS-0023940
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 498.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id n.a.
Iupac Name (2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,7-dimethylchromen-5-ol
Prediction Hob 1.0
Xlogp 6.7
Molecular Formula C22H30O2
Prediction Swissadme 0.0
Inchi Key WQOSNKWCIQZRGH-IHSQGBLNSA-N
Fcsp3 0.4545454545454545
Logs -6.264
Rotatable Bond Count 6.0
Logd 5.257
Compound Name Confluentin
Prediction Hob Swissadme 0.0
Exact Mass 326.225
Formal Charge 0.0
Monoisotopic Mass 326.225
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 326.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -5.848976
Inchi InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,13-15,23H,6-7,9,12H2,1-5H3/b17-10+/t22-/m1/s1
Smiles CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/CCC=C(C)C)O
Nring 2.0
Defined Bond Stereocenter Count 1.0