1.0 2010-04-08 22:12:40 UTC 2025-11-19 01:49:59 UTC FDB016814 Prunus inhibitor b Isolated from Prunus persica roots. Prunus inhibitor b is found in fruits. 3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',4',5,7-pentahydroxyflavan ent-Epiafzelechin(2a->7,4a->8)catechin PIb Prunus inhibitor b C30H24O11 560.505 560.13186161 5-(3,4-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol 5-(3,4-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol 83889-81-0 OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC3(OC4=CC(O)=CC(O)=C4C1C3O)C1=CC=C(O)C=C1)C=C2O InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2 MXKKFADFYXJREN-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 Catechins Catechols Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids 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 Catechin Catechol Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Ketal Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Pyranochromene Pyranoflavonoid Secondary alcohol logp 2.61 ALOGPS logs -3.80 ALOGPS solubility 8.89e-02 g/l ALOGPS logp 3.89 ChemAxon pka_strongest_acidic 8.75 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 5-(3,4-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol ChemAxon average_mass 560.505 ChemAxon mono_mass 560.13186161 ChemAxon smiles OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC3(OC4=CC(O)=CC(O)=C4C1C3O)C1=CC=C(O)C=C1)C=C2O ChemAxon formula C30H24O11 ChemAxon inchi InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2 ChemAxon inchikey MXKKFADFYXJREN-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 142.22 ChemAxon polarizability 55.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75684 Specdb::MsMs 75685 Specdb::MsMs 75686 Specdb::MsMs 135369 Specdb::MsMs 135370 Specdb::MsMs 135371 Specdb::MsMs 2438668 Specdb::MsMs 2438669 Specdb::MsMs 2438670 Specdb::MsMs 2523549 Specdb::MsMs 2523550 Specdb::MsMs 2523551 Specdb::CMs 19882 Specdb::CMs 45515 Specdb::CMs 281977 Specdb::CMs 344730 Specdb::CMs 344731 Specdb::CMs 344732 Specdb::CMs 344733 Specdb::CMs 344734 Specdb::CMs 344735 Specdb::CMs 344736 Specdb::CMs 344737 Specdb::CMs 344738 Specdb::CMs 344739 Specdb::CMs 344740 Specdb::CMs 344741 Specdb::CMs 344742 Specdb::CMs 344743 Specdb::CMs 344744 Specdb::CMs 344745 Specdb::CMs 344746 Specdb::CMs 344747 Specdb::CMs 344748 Specdb::CMs 344749 Specdb::CMs 344750 Specdb::CMs 344751 HMDB37687 #<Reference:0x000055ce320c7af0> Fruits Unknown generic