| 2D Structure | |
| CID | 31553 |
| IUPAC Name | (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 |
| InChI Key | SEBFKMXJBCUCAI-HKTJVKLFSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H22O10 |
| Molecular Weight | 482.4 |
| synonyms | ['silibinin', 'Silymarin I', 'Flavobin', 'Silybine', 'Silibinine', 'Silliver', 'Silymarine I', 'Silibinina', 'Silibininum', 'Legalon', '(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one', 'CHEBI:9144', '(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one', 'Silibinin a-silibinin b mixt.', '(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-4H-chromen-4-one', '(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one', 'RefChem:183059', '4RKY41TBTF', '245-302-5', '(2R,3R)-3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one', 'Silybin', '22888-70-6', 'Silybin A', 'Silibinin A', 'Silibinin [INN]', '(2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one', 'Silymarine', '( inverted exclamation markA)-SILYBIN', 'Flavobin Spofa', 'MFCD00872186', 'NSC-651520', 'DTXSID8026018', '33X338MNE4', 'Silibinin (INN)', 'NSC651520', '(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one', '4H-1-Benzopyran-4-one,2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-', 'NCGC00091057-01', '(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one', '1265089-69-7', 'DTXCID106018', 'Silibinine [INN-French]', 'Silibininum [INN-Latin]', 'Silibinina [INN-Spanish]', '7C3MT', '(2r,3r)-2-[(2r,3r)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4h-1-benzopyran-4-one', 'rel-(2R,3R)-3,5,7-Trihydroxy-2-((2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one', 'CAS-22888-70-6', '(+/-)-SILYBIN', 'EINECS 245-302-5', 'NSC 651520', 'Silybin;Silibinin A;Silymarin I', 'silybinin', 'UNII-33X338MNE4', 'CCRIS 9378', 'Silymarin A', '4H-1-Benzopyran-4-one, 2-((2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-', '4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-', '()-Silybin', 'Legalon (TN)', 'Silibinin (Silybin)', 'Silybin A (Standard)', 'Spectrum2_001694', 'Spectrum3_001132', 'Spectrum4_001978', 'Spectrum5_001893', 'SILYBIN A [MI]', 'BSPBio_002623', 'KBioGR_002481', 'Milk thistle dry extract HRS', 'MLS001304057', 'SCHEMBL324884', 'SPECTRUM1505256', 'SPBio_001648', 'CHEMBL431701', 'MEGxp0_001301', 'orb1307850', 'orb2299464', 'SCHEMBL29392068', 'SCHEMBL29399173', 'GTPL12449', 'KBio3_002123', 'HMS1922P05', 'HMS2232P03', 'HMS6018N08', '2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxin', 'MSK40325', 'Tox21_111070', 'Tox21_200755', 'BDBM50084982', 'CCG-38779', 'EBC-17130', 'HY-13748R', 'MFCD03225424', 's2357', '( inverted exclamation mark_)-Silybin', 'AKOS004119918', 'Tox21_111070_1', 'DB09298', 'DS-9661', 'SDCCGMLS-0066916.P001', 'SMP2_000323', 'NCGC00091057-02', 'NCGC00091057-03', 'NCGC00091057-05', 'NCGC00258309-01', 'Silybin A (constituent of milk thistle)', '3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone', '4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2R-(2-alpha,3-beta,6(2R*,3R*)))-', '4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-', 'BP-30210', 'DA-57872', 'HY-13748', 'SMR000718776', 'SY067261', 'SY103655', 'SBI-0207018.P001', 'HY-139637', 'CS-0226432', 'Silybin ASilibinin A; Silybin A; Silymarin I', 'D08515', 'E82516', 'AB00876265_06', 'F551327', 'F870214', 'Q425702', 'SR-01000799140', 'SR-01000799140-2', 'BRD-K80353138-001-02-2', 'BRD-K80353138-001-07-1', 'BRD-K80353138-001-12-1', 'BRD-K80353138-001-13-9', 'SILYBIN A (CONSTITUENT OF MILK THISTLE) [DSC]', '(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one', '(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one', '(2R,3R)-3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one', '3,5,7-Trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)- 2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone', '3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chroman-4-one', '3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-(2R,3R)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl]-(2R,3R)-3,4-dihydro-2H-4-chromenone'] |
From Pubchem