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Communin A

PubChem CID: 44233686

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Compound Synonyms COMMUNIN A, (2S)-7-hydroxy-2-phenyl-5-((Z)-2-phenylethenyl)-2,3-dihydrochromen-4-one, (2S)-7-hydroxy-2-phenyl-5-[(Z)-2-phenylethenyl]-2,3-dihydrochromen-4-one, CHEMBL554121, 1173170-55-2
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 502.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id n.a.
Iupac Name (2S)-7-hydroxy-2-phenyl-5-[(Z)-2-phenylethenyl]-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 4.8
Molecular Formula C23H18O3
Prediction Swissadme 0.0
Inchi Key ZPNXTAJKEFNJMW-GMGKOPGTSA-N
Fcsp3 0.0869565217391304
Logs -5.611
Rotatable Bond Count 3.0
Logd 3.956
Compound Name Communin A
Prediction Hob Swissadme 0.0
Exact Mass 342.126
Formal Charge 0.0
Monoisotopic Mass 342.126
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 342.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -5.313750492307692
Inchi InChI=1S/C23H18O3/c24-19-13-18(12-11-16-7-3-1-4-8-16)23-20(25)15-21(26-22(23)14-19)17-9-5-2-6-10-17/h1-14,21,24H,15H2/b12-11-/t21-/m0/s1
Smiles C1[C@H](OC2=CC(=CC(=C2C1=O)/C=C\C3=CC=CC=C3)O)C4=CC=CC=C4
Nring 4.0
Defined Bond Stereocenter Count 1.0