1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:46 UTC FDB011284 Mulberrofuran M Constituent of Morus alba (white mulberry). Mulberrofuran M is found in fruits. (+-)-p-chlorphenylalanine 3-(4-Chlorophenyl)-DL-alanine 3-(P-Chlorophenyl)-alanine 3-(p-Chlorophenyl)-DL-alanine 4-Chloro-3-phenyl-L-alanine 4-Chloro-3-phenylalanine 4-Chloro-DL-phenylalanine 4-chloro-Phenylalanine 4-Chlorophenylalanine Alanine, 3-(4-chlorophenyl)-, DL- Alanine, 3-(p-chlorophenyl)- Alanine, 3-(p-chlorophenyl)-, DL- C-pal C9H10ClNO2 CPD w/o isomeric designation DL-3-(4-Chlorophenyl)alanine DL-3-(p-Chlorophenyl)alanine DL-p-chlorophenylalanine DL-pcpa DL-Phenylalanine, 4-chloro- Fenchlonine Fenclonin Fenclonina Fenclonine Fenclonine (usan/inn) Fenclonine [usan:inn] Fencloninum L-p-chlorophenylalanine P-chloro-DL-phenylalanine P-chlorophenylalanine P-clorophenylalanine Para-chlorophenylalanine PCP PCPA Phenylalanine, 4-chloro- C34H22O10 590.5325 590.121296924 16-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-12-methyl-11-oxo-3,13-dioxapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-2(10),4(9),5,7,14,16,18-heptaen-8-yl 2,4-dihydroxybenzoate 16-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-12-methyl-11-oxo-3,13-dioxapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-2(10),4(9),5,7,14,16,18-heptaen-8-yl 2,4-dihydroxybenzoate 101365-03-1 CC12CC(C3=C(C4=C(O3)C=C(C=C4OC(=O)C3=C(O)C=C(O)C=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=O)C1=CC=C(O)C=C1O2 InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3 UCGIUWUATGREEP-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl alkyl ketones Benzofurans Benzoyl derivatives Carboxylic acid esters Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Resorcinols Salicylic acid and derivatives Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoate ester Benzofuran Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Chromane Dihydroxybenzoic acid Ether Furan Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid ester Phenol Resorcinol Salicylic acid or derivatives Vinylogous acid logp 5.25 ALOGPS logs -4.52 ALOGPS solubility 1.79e-02 g/l ALOGPS logp 6.45 ChemAxon pka_strongest_acidic 8.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 16-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-12-methyl-11-oxo-3,13-dioxapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]icosa-2(10),4(9),5,7,14,16,18-heptaen-8-yl 2,4-dihydroxybenzoate ChemAxon average_mass 590.5325 ChemAxon mono_mass 590.121296924 ChemAxon smiles CC12CC(C3=C(C4=C(O3)C=C(C=C4OC(=O)C3=C(O)C=C(O)C=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=O)C1=CC=C(O)C=C1O2 ChemAxon formula C34H22O10 ChemAxon inchi InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3 ChemAxon inchikey UCGIUWUATGREEP-UHFFFAOYSA-N ChemAxon polar_surface_area 159.8 ChemAxon refractivity 155.75 ChemAxon polarizability 60.55 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8789 Specdb::MsMs 8790 Specdb::MsMs 8791 Specdb::MsMs 15461 Specdb::MsMs 15462 Specdb::MsMs 15463 Specdb::MsMs 2794205 Specdb::MsMs 2794206 Specdb::MsMs 2794207 Specdb::MsMs 2885327 Specdb::MsMs 2885328 Specdb::MsMs 2885329 Specdb::CMs 25894 Specdb::CMs 43179 Specdb::CMs 282861 Specdb::CMs 418764 Specdb::CMs 418765 Specdb::CMs 418766 Specdb::CMs 418767 Specdb::CMs 418768 Specdb::CMs 418769 Specdb::CMs 418770 Specdb::CMs 418771 Specdb::CMs 418772 Specdb::CMs 418773 Specdb::CMs 418774 Specdb::CMs 418775 Specdb::CMs 418776 Specdb::CMs 418777 Specdb::CMs 418778 Specdb::CMs 418779 Specdb::CMs 418780 Specdb::CMs 418781 Specdb::CMs 418782 Specdb::CMs 418783 Specdb::CMs 418784 Specdb::CMs 418785 HMDB33261 #<Reference:0x000055ce32f70480> #<Reference:0x000055ce32f70278> #<Reference:0x000055ce32f70070> #<Reference:0x000055ce32f6fe90> Fruits Unknown generic