1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:38 UTC FDB020227 Mahuannin A From Prunus subspecies Mahuannin A is found in fruits and apricot. ent-Epiafzelechin(2a->7,4a->8)epiafzelechin Mahuannin A C30H24O10 544.512 544.136946973 (1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol (1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 82765-89-7 O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C([C@@H]1[C@@H]3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30?/m1/s1 LQRHGTVFFPMWCG-IWJZIPRASA-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 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 Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 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 Proanthocyanidin Pyranochromene Pyranoflavonoid Secondary alcohol logp 2.88 ALOGPS logs -3.90 ALOGPS solubility 6.90e-02 g/l ALOGPS logp 4.2 ChemAxon pka_strongest_acidic 8.82 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol ChemAxon average_mass 544.512 ChemAxon mono_mass 544.136946973 ChemAxon smiles O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C1=C(OC3(OC4=C([C@@H]1[C@@H]3O)C(O)=CC(O)=C4)C1=CC=C(O)C=C1)C=C2O ChemAxon formula C30H24O10 ChemAxon inchi InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)27-21(36)11-18-19(34)12-23-25(28(18)38-27)26-24-20(35)9-17(33)10-22(24)39-30(40-23,29(26)37)14-3-7-16(32)8-4-14/h1-10,12,21,26-27,29,31-37H,11H2/t21-,26+,27-,29+,30?/m1/s1 ChemAxon inchikey LQRHGTVFFPMWCG-IWJZIPRASA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 140.23 ChemAxon polarizability 54.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3606514 Specdb::MsMs 3606515 Specdb::MsMs 3606516 Specdb::MsMs 3606517 Specdb::MsMs 3606518 Specdb::MsMs 3606519 Apricot Type 1 specific Prunus armeniaca 36596 Fruits Unknown generic