1.0 2012-01-20 01:16:42 UTC 2025-11-19 03:00:06 UTC FDB029993 Schisanhenol A polyphenol metabolite detected in biological fluids [PhenolExplorer] C23H30O6 402.4807 402.204238692 (9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol (9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol COC1=C(OC)C(O)=C2C(C[C@H](C)[C@H](C)CC3=CC(OC)=C(OC)C(OC)=C23)=C1 InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1 FYSHYFPJBONYCQ-QWHCGFSZSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic homopolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dibenzocyclooctadiene lignans Hydrocarbon derivatives 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Dibenzocyclooctane lignan Ether Hydrocarbon derivative Hydrolyzable tannin Organic oxygen compound Organooxygen compound logp 4.09 ALOGPS logs -4.64 ALOGPS solubility 9.21e-03 g/l ALOGPS logp 4.55 ChemAxon pka_strongest_acidic 9.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol ChemAxon average_mass 402.4807 ChemAxon mono_mass 402.204238692 ChemAxon smiles COC1=C(OC)C(O)=C2C(C[C@H](C)[C@H](C)CC3=CC(OC)=C(OC)C(OC)=C23)=C1 ChemAxon formula C23H30O6 ChemAxon inchi InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1 ChemAxon inchikey FYSHYFPJBONYCQ-QWHCGFSZSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 112.07 ChemAxon polarizability 44.08 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1250311 Specdb::MsMs 1250312 Specdb::MsMs 1250313 Specdb::MsMs 1365604 Specdb::MsMs 1365605 Specdb::MsMs 1365606