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Schizandrin

PubChem CID: 23915

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Compound Synonyms Schisandrin, Schizandrin, 7432-28-2, Schizandrol A, Schisandrol A, Wuweizichun A, Wuweizi alcohol A, 3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol, Schisandrin,(S), MFCD00905761, SCHEMBL2702845, Wuweizi alcohol A, Schisandrol A, CHEBI:80900, DTXSID20995843, AKOS015918158, FS65391, 1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-6-ol, 1ST40206, AS-17718, DB-055861, C17064, 1,2,3,10,11,12-Hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloocten-6-ol #, Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2 3,10,11,12-hexamethoxy-,stereoisomer
Topological Polar Surface Area 75.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 31.0
Description A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Isotope Atom Count 0.0
Molecular Complexity 574.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol
Prediction Hob 0.0
Class Tannins
Xlogp 4.0
Superclass Phenylpropanoids and polyketides
Subclass Hydrolyzable tannins
Molecular Formula C24H32O7
Prediction Swissadme 1.0
Inchi Key YEFOAORQXAOVJQ-UHFFFAOYSA-N
Fcsp3 0.5
Logs -3.943
Rotatable Bond Count 6.0
Logd 3.089
Synonyms Wuweizisu a, Schizandrol a, Schizandrin
Compound Name Schizandrin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 432.215
Formal Charge 0.0
Monoisotopic Mass 432.215
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 432.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homopolycyclic compounds
Esol -4.950932212903227
Inchi InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3
Smiles CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Hydrolyzable tannins