1.0 2010-04-08 22:11:21 UTC 2019-11-26 03:10:24 UTC FDB014592 Lactupicrin Constituent of Lactuca sativa (lettuce), Cichorium intybus (chicory) and Cichorium endivia (endive). Lactupicrin is found in many foods, some of which are endive, romaine lettuce, chicory, and lettuce. Intybin Lactucopicrin Lactupicrin C23H22O7 410.4166 410.136553058 9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate 9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate 65725-11-3 CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3 UMVSOHBRAQTGQI-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic heteropolycyclic compounds Benzene and substituted derivatives Dicarboxylic acids and derivatives Enoate esters Gamma butyrolactones Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Primary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Tetrahydrofuran logp 1.99 ALOGPS logs -3.67 ALOGPS solubility 8.77e-02 g/l ALOGPS melting_point Mp 132-178° dec. logp 1.95 ChemAxon pka_strongest_acidic 6.52 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate ChemAxon average_mass 410.4166 ChemAxon mono_mass 410.136553058 ChemAxon smiles CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O ChemAxon formula C23H22O7 ChemAxon inchi InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3 ChemAxon inchikey UMVSOHBRAQTGQI-UHFFFAOYSA-N ChemAxon polar_surface_area 110.13 ChemAxon refractivity 107.72 ChemAxon polarizability 41.18 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19337 Specdb::CMs 44584 Specdb::CMs 136909 Specdb::CMs 144643 Specdb::MsMs 10499 Specdb::MsMs 10500 Specdb::MsMs 10501 Specdb::MsMs 17171 Specdb::MsMs 17172 Specdb::MsMs 17173 Specdb::MsMs 2335150 Specdb::MsMs 2335151 Specdb::MsMs 2335152 Specdb::MsMs 2626580 Specdb::MsMs 2626581 Specdb::MsMs 2626582 HMDB35828 #<Reference:0x000055ac3d35f220> Arabica coffee Type 1 specific Coffea arabica 13443 Chicory Type 1 specific Cichorium intybus 13427 Coffee and coffee products Unknown generic Endive Type 1 specific Cichorium endivia 114280 Green vegetables Unknown generic Herbs and Spices Unknown generic Lettuce Type 1 specific Lactuca sativa 4236 Robusta coffee Type 1 specific Coffea canephora 49390 Romaine lettuce Type 1 specific Lactuca sativa L. var. longifolia anti feedant 275 bitter 732 central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. hypoglycemic 1017 A drug which lowers the blood glucose level. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.