1.0 2026-09-21 15:48:22 UTC 2026-09-21 15:48:22 UTC FDB116676 Silybin B (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one C25H22O10 482.441 482.121296908 (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-1-benzopyran-4-one [H][C@]1(O)C(=O)C2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC2=C(O[C@@]([H])(CO)[C@@]([H])(O2)C2=CC(OC)=C(O)C=C2)C=C1 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+/m0/s1 SEBFKMXJBCUCAI-WAABAYLZSA-N belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety. Flavonolignans Organic compounds Lignans, neolignans and related compounds Flavonolignans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzo-1,4-dioxanes Chromones Flavanonols Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Para dioxins Phenoxy compounds Phenylbenzo-1,4-dioxanes Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-phenylbenzo-1,4-dioxane 3-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzo-1,4-dioxane Benzodioxane Benzopyran Chromane Chromone Ether Flavan Flavanone Flavanonol Flavonolignan Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Para-dioxin Phenol Phenol ether Phenoxy compound Phenylbenzodioxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 2.35 ALOGPS logs -3.72 ALOGPS solubility 9.26e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 7.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 482.441 ChemAxon mono_mass 482.121296908 ChemAxon smiles [H][C@]1(O)C(=O)C2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC2=C(O[C@@]([H])(CO)[C@@]([H])(O2)C2=CC(OC)=C(O)C=C2)C=C1 ChemAxon formula C25H22O10 ChemAxon 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+/m0/s1 ChemAxon inchikey SEBFKMXJBCUCAI-WAABAYLZSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 120.29 ChemAxon polarizability 48.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon