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Senegalensin

PubChem CID: 124035

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Compound Synonyms Senegalensin, Lonchocarpol A, 6,8-Diprenylnaringenin, 68236-11-3, Senegalensein, CHEBI:2156, DTXSID20218408, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-, (S)-, (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 5,4'-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(5''-(hydroxyisopropyl)dihydrofurano(2'',3''-6.7))isoflavone, (S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)chroman-4-one, (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one, Senegalensien, SCHEMBL144277, CHEMBL477969, DTXCID00140899, GLXC-18378, LMPK12140276, NSC721162, AKOS040761193, FS-7456, NSC-721162, DA-60493, FD139081, HY-122416, CS-0085161, C09724, Q27105565, (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chroman-4-one
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 652.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 6.2
Molecular Formula C25H28O5
Prediction Swissadme 0.0
Inchi Key HCNLDGTUMBOHKT-NRFANRHFSA-N
Fcsp3 0.32
Logs -3.22
Rotatable Bond Count 5.0
Logd 3.695
Compound Name Senegalensin
Prediction Hob Swissadme 0.0
Exact Mass 408.194
Formal Charge 0.0
Monoisotopic Mass 408.194
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 408.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -6.269862800000001
Inchi InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1
Smiles CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0