1.0 2010-04-08 22:13:15 UTC 2019-11-26 03:15:05 UTC FDB017708 Procyanidin B7 Isolated from unripe fruits of cowberry Vaccinium vitis-idaea. Procyanidin B7 is found in many foods, some of which are common wheat, pomegranate, pineapple, and apricot. EC-(4,6)-C Epicatechin(4b->6)catechin Procyanidin B7 Procyanidin dimer B7 C30H26O12 578.5202 578.142426296 (2R,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 12798-59-3 OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1 OHIUVDQGXUITJQ-RRZQRCDDSA-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 2-benzopyrans 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Catechols Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechin Catechol Chromane Dialkyl ether Ether Hydrocarbon derivative Hydroxyflavonoid Isochromane Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Secondary alcohol logp 2.22 ALOGPS logs -3.62 ALOGPS solubility 1.40e-01 g/l ALOGPS logp 2.86 ChemAxon pka_strongest_acidic 8.55 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac (2R,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 578.5202 ChemAxon mono_mass 578.142426296 ChemAxon smiles OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1 ChemAxon inchikey OHIUVDQGXUITJQ-RRZQRCDDSA-N ChemAxon polar_surface_area 220.76 ChemAxon refractivity 146.86 ChemAxon polarizability 58 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105852 Specdb::MsMs 105853 Specdb::MsMs 105854 Specdb::MsMs 172461 Specdb::MsMs 172462 Specdb::MsMs 172463 Specdb::MsMs 2664982 Specdb::MsMs 2664983 Specdb::MsMs 2664984 Specdb::MsMs 3016368 Specdb::MsMs 3016369 Specdb::MsMs 3016370 Specdb::CMs 23437 Specdb::CMs 45789 Specdb::CMs 282492 Specdb::CMs 384962 Specdb::CMs 384963 Specdb::CMs 384964 Specdb::CMs 384965 Specdb::CMs 384966 Specdb::CMs 384967 Specdb::CMs 384968 Specdb::CMs 384969 Specdb::CMs 384970 Specdb::CMs 384971 Specdb::CMs 384972 Specdb::CMs 384973 Specdb::CMs 384974 Specdb::CMs 384975 Specdb::CMs 384976 Specdb::CMs 384977 Specdb::CMs 384978 Specdb::CMs 384979 Specdb::CMs 384980 Specdb::CMs 384981 Specdb::CMs 384982 Specdb::CMs 384983 HMDB38368 #<Reference:0x000055ce32c0c140> Apple Type 1 specific Malus pumila 283210 3.765 3.764999946 3.764999946 mg/100 g Apple cider Type 2 specific 0.0 0.0 0.0 mg/100 g Apricot Type 1 specific Prunus armeniaca 36596 0.01 0.01 0.01 mg/100 g Avocado Type 1 specific Persea americana 3435 0.0 0.0 0.0 mg/100 g Banana Type 1 specific Musa acuminata 4641 0.0 0.0 0.0 mg/100 g Black tea Type 1 0.545 0.629999995 0.459999998 mg/100 g Broad bean Type 1 specific Vicia faba 3906 0.0 0.0 0.0 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Chestnut Type 1 specific Castanea 21019 0.0 0.0 0.0 mg/100 g Chickpea Type 1 specific Cicer arietinum 3827 0.0 0.0 0.0 mg/100 g Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Common bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Common pea Type 1 specific Pisum sativum 3888 0.0 0.0 0.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 0.0 0.0 0.0 mg/100 g Cucurbita Type 1 specific Cucurbita 3660 0.0 0.0 0.0 mg/100 g Custard apple Type 1 specific Annona reticulata 301862 2.31 2.309999943 2.309999943 mg/100 g Eggplant Type 1 specific Solanum melongena 4111 0.0 0.0 0.0 mg/100 g European plum Type 1 specific Prunus domestica 3758 4.69 4.689999898 4.689999898 mg/100 g Fig Type 1 specific Ficus carica 3494 0.0 0.0 0.0 mg/100 g Fruits Unknown generic Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 0.0 0.0 0.0 mg/100 g Grape wine Type 2 specific 0.11 0.270000021 0.0 mg/100 g Green bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Green tea Type 1 0.545 0.629999995 0.459999998 mg/100 g Green zucchini Type 1 specific Cucurbita pepo var. cylindrica 0.0 0.0 0.0 mg/100 g Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Japanese persimmon Type 1 specific Diospyros kaki 35925 0.0 0.0 0.0 mg/100 g Kiwi Type 1 specific Actinidia chinensis 3625 0.0 0.0 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 0.0 0.0 0.0 mg/100 g Lettuce Type 1 specific Lactuca sativa 4236 0.0 0.0 0.0 mg/100 g Lingonberry Type 1 specific Vaccinium vitis-idaea 180772 Medlar Type 1 specific Mespilus germanica 36616 0.17 0.169999997 0.169999997 mg/100 g Peach (var.) Type 1 specific Prunus persica var. persica 323852 1.3 1.299999952 1.299999952 mg/100 g Pear Type 1 specific Pyrus communis 23211 0.045 0.045000002 0.045000002 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 0.0 0.0 0.0 mg/100 g Pomegranate Type 1 specific Punica granatum 22663 0.0 0.0 0.0 mg/100 g Quince Type 1 specific Cydonia oblonga 36610 0.0 0.0 0.0 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet cherry Type 1 specific Prunus avium 42229 1.01 1.00999999 1.00999999 mg/100 g Tea Type 1 specific Camellia sinensis 4442 0.545 0.629999995 0.459999998 mg/100 g Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 0.0 0.0 0.0 mg/100 g Yellow zucchini Type 1 specific Cucurbita pepo var. cylindrica 0.0 0.0 0.0 mg/100 g