1.0 2010-04-08 22:13:54 UTC 2025-11-19 02:14:13 UTC FDB018737 Acutissimin A Isolated from Castanea crenata (Japanese chestnut). Acutissimin A is found in european chestnut, nuts, and guava. C56H38O31 1206.8823 1206.139704498 (1R,2R,20R,42S,46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone (1R,2R,20R,42S,46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone 108906-66-7 [H][C@]1([C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)O[C@@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)O[C@H]1[C@@H]2OC3=O)C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC=C(O)C(O)=C1 InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2/t22-,23+,32-,47+,49+,50-,51-/m0/s1 DRHVFLXLYQESEQ-ODYVANGTSA-N belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin. Complex tannins Organic compounds Phenylpropanoids and polyketides Tannins Complex tannins 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 Carboxylic acid esters Catechins Catechols Gallic acid and derivatives Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pentacarboxylic acids and derivatives 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 Carboxylic acid derivative Carboxylic acid ester Catechin Catechol Chromane Complex tannin Ether Flavan Flavan-3-ol Gallic acid or derivatives Hydrocarbon derivative Hydroxyflavonoid Isochromane Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentacarboxylic acid or derivatives Phenol Polyol Secondary alcohol logp 3.37 ALOGPS logs -2.52 ALOGPS solubility 3.63e+00 g/l ALOGPS logp 4.27 ChemAxon pka_strongest_acidic 7.15 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac (1R,2R,20R,42S,46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone ChemAxon average_mass 1206.8823 ChemAxon mono_mass 1206.139704498 ChemAxon smiles [H][C@]1([C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C3C(=C(O)C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)O[C@@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)O[C@H]1[C@@H]2OC3=O)C1=C2O[C@@H]([C@@H](O)CC2=C(O)C=C1O)C1=CC=C(O)C(O)=C1 ChemAxon formula C56H38O31 ChemAxon inchi InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2/t22-,23+,32-,47+,49+,50-,51-/m0/s1 ChemAxon inchikey DRHVFLXLYQESEQ-ODYVANGTSA-N ChemAxon polar_surface_area 545.33 ChemAxon refractivity 283.99 ChemAxon polarizability 107.54 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 26 ChemAxon donor_count 20 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB39207 #<Reference:0x000055ce31ec24a8> European chestnut Type 1 specific Castanea sativa 21020 Guava Type 1 specific Psidium guajava 120290 Nuts Unknown generic