1.0 2010-04-08 22:15:03 UTC 2019-11-26 03:18:59 UTC FDB020473 (2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan Constituent of the branches of Prunus spinosa (sloe). (2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan is found in alcoholic beverages, herbs and spices, and fruits. C30H24O11 560.505 560.13186161 5-(3,5-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 5-(3,5-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 148843-32-7 OC1CC2=C(OC1C1=CC(O)=CC(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O InChI=1S/C30H24O11/c31-14-3-1-13(2-4-14)30-29(38)26(24-20(36)8-17(34)9-22(24)40-30)25-23(41-30)11-19(35)18-10-21(37)27(39-28(18)25)12-5-15(32)7-16(33)6-12/h1-9,11,21,26-27,29,31-38H,10H2 FCJSPNBYCRWDHZ-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids A-type proanthocyanidins Alkyl aryl ethers Benzene and substituted derivatives Flavan-3-ols Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids Resorcinols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid A-type proanthocyanidin Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Ketal Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyranochromene Pyranoflavonoid Resorcinol Secondary alcohol logp 2.59 ALOGPS logs -3.76 ALOGPS solubility 9.76e-02 g/l ALOGPS logp 3.89 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 5-(3,5-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol ChemAxon average_mass 560.505 ChemAxon mono_mass 560.13186161 ChemAxon smiles OC1CC2=C(OC1C1=CC(O)=CC(O)=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O ChemAxon formula C30H24O11 ChemAxon inchi InChI=1S/C30H24O11/c31-14-3-1-13(2-4-14)30-29(38)26(24-20(36)8-17(34)9-22(24)40-30)25-23(41-30)11-19(35)18-10-21(37)27(39-28(18)25)12-5-15(32)7-16(33)6-12/h1-9,11,21,26-27,29,31-38H,10H2 ChemAxon inchikey FCJSPNBYCRWDHZ-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 142.22 ChemAxon polarizability 55.61 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 300409 Specdb::MsMs 300410 Specdb::MsMs 300411 Specdb::MsMs 342679 Specdb::MsMs 342680 Specdb::MsMs 342681 Specdb::MsMs 2714554 Specdb::MsMs 2714555 Specdb::MsMs 2714556 Specdb::MsMs 2967360 Specdb::MsMs 2967361 Specdb::MsMs 2967362 Specdb::CMs 15539 Specdb::CMs 46896 Specdb::CMs 281978 Specdb::CMs 344927 Specdb::CMs 344928 Specdb::CMs 344929 Specdb::CMs 344930 Specdb::CMs 344931 Specdb::CMs 344932 Specdb::CMs 344933 Specdb::CMs 344934 Specdb::CMs 344935 Specdb::CMs 344936 Specdb::CMs 344937 Specdb::CMs 344938 Specdb::CMs 344939 Specdb::CMs 344940 Specdb::CMs 344941 Specdb::CMs 344942 Specdb::CMs 344943 Specdb::CMs 344944 Specdb::CMs 344945 Specdb::CMs 344946 Specdb::CMs 344947 Specdb::CMs 344948 HMDB40676 #<Reference:0x000055ce30510c80> Alcoholic beverages Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic