This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(-)-Candidone

PubChem CID: 157102

Connections displayed (default: 10).
Loading graph...

Compound Synonyms candidone, 77727-18-5, (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-buten-1-yl)-2-phenyl-, (2S)-, (-)-Candidone, CHEMBL454844, DTXSID40998932, CHEBI:187753, AKOS040734364, Candidone, >=95% (LC/MS-ELSD), 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-, 5,7-Dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 504.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P47199
Iupac Name (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 4.8
Molecular Formula C22H24O4
Prediction Swissadme 1.0
Inchi Key JYESOAFLKFHYHP-SFHVURJKSA-N
Fcsp3 0.3181818181818182
Logs -6.157
Rotatable Bond Count 5.0
Logd 3.924
Compound Name (-)-Candidone
Prediction Hob Swissadme 1.0
Exact Mass 352.167
Formal Charge 0.0
Monoisotopic Mass 352.167
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 352.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.041704461538461
Inchi InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
Smiles CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)C
Nring 3.0
Defined Bond Stereocenter Count 0.0