1.0 2010-04-08 22:13:15 UTC 2025-11-19 01:56:24 UTC FDB017695 Gambiriin B3 Isolated from Sanguisorba officinalis (burnet bloodwort). Gambiriin B3 is found in tea and herbs and spices. C30H26O11 562.5208 562.147511674 2-{[6,12-bis(3,4-dihydroxyphenyl)-8,11-dihydroxy-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-5-yl]methyl}benzene-1,3,5-triol 2-{[6,12-bis(3,4-dihydroxyphenyl)-8,11-dihydroxy-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-5-yl]methyl}benzene-1,3,5-triol 76236-90-3 OC1CC2=C(O)C3=C(OC(CC4=C(O)C=C(O)C=C4O)C3C3=CC(O)=C(O)C=C3)C=C2OC1C1=CC(O)=C(O)C=C1 InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2 FFCVTFZKQFEUKL-UHFFFAOYSA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechins Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1-phenylcoumarans 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Catechols Furanoflavonoids and dihydrofuranoflavonoids Hydrocarbon derivatives Linear diarylheptanoids Oxacyclic compounds Phloroglucinols and derivatives Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Catechin Catechol Chromane Coumaran Ether Furanoflavonoid or dihydroflavonoid Hydrocarbon derivative Hydroxyflavonoid Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phloroglucinol derivative Polyol Secondary alcohol logp 2.74 ALOGPS logs -4.38 ALOGPS solubility 2.34e-02 g/l ALOGPS melting_point Mp 271-274° dec. logp 4.03 ChemAxon pka_strongest_acidic 8.74 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 2-{[6,12-bis(3,4-dihydroxyphenyl)-8,11-dihydroxy-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-5-yl]methyl}benzene-1,3,5-triol ChemAxon average_mass 562.5208 ChemAxon mono_mass 562.147511674 ChemAxon smiles OC1CC2=C(O)C3=C(OC(CC4=C(O)C=C(O)C=C4O)C3C3=CC(O)=C(O)C=C3)C=C2OC1C1=CC(O)=C(O)C=C1 ChemAxon formula C30H26O11 ChemAxon inchi InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2 ChemAxon inchikey FFCVTFZKQFEUKL-UHFFFAOYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 145.3 ChemAxon polarizability 56.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78546 Specdb::MsMs 78547 Specdb::MsMs 78548 Specdb::MsMs 138915 Specdb::MsMs 138916 Specdb::MsMs 138917 Specdb::MsMs 2683062 Specdb::MsMs 2683063 Specdb::MsMs 2683064 Specdb::MsMs 3022839 Specdb::MsMs 3022840 Specdb::MsMs 3022841 Specdb::CMs 10188 Specdb::CMs 45781 Specdb::CMs 282022 Specdb::CMs 349178 Specdb::CMs 349179 Specdb::CMs 349180 Specdb::CMs 349181 Specdb::CMs 349182 Specdb::CMs 349183 Specdb::CMs 349184 Specdb::CMs 349185 Specdb::CMs 349186 Specdb::CMs 349187 Specdb::CMs 349188 Specdb::CMs 349189 Specdb::CMs 349190 Specdb::CMs 349191 Specdb::CMs 349192 Specdb::CMs 349193 Specdb::CMs 349194 Specdb::CMs 349195 Specdb::CMs 349196 Specdb::CMs 349197 Specdb::CMs 349198 Specdb::CMs 349199 HMDB38358 #<Reference:0x000055ce307892a0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442