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(2S)-5-hydroxy-7-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one

PubChem CID: 51520434

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Compound Synonyms CHEMBL3134115
Topological Polar Surface Area 55.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 377.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P11511
Iupac Name (2S)-5-hydroxy-7-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Target Id NPT441
Xlogp 3.4
Molecular Formula C17H16O4
Prediction Swissadme 0.0
Inchi Key SNHQMOIKQSCRFM-HNNXBMFYSA-N
Fcsp3 0.2352941176470588
Logs -4.644
Rotatable Bond Count 2.0
Logd 3.422
Compound Name (2S)-5-hydroxy-7-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 284.105
Formal Charge 0.0
Monoisotopic Mass 284.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 284.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.060785342857142
Inchi InChI=1S/C17H16O4/c1-10-14(20-2)8-12(18)16-13(19)9-15(21-17(10)16)11-6-4-3-5-7-11/h3-8,15,18H,9H2,1-2H3/t15-/m0/s1
Smiles CC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3)O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0