1.0 2010-04-08 22:09:57 UTC 2019-11-26 03:06:01 UTC FDB012036 Medicocarpin Isolated from roots of Medicago sativa (alfalfa) and Trifolium repens (white clover). Medicocarpin is found in many foods, some of which are alfalfa, herbs and spices, pulses, and tea. (-)-medicocarpin Medicarpin 3-O-glucoside Medicarpin-3-o-glucoside Medicocarpin C22H24O9 432.4206 432.142032366 2-(hydroxymethyl)-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxane-3,4,5-triol medicarpin 3-O-glucoside 52766-70-8 COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C1O2 InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3 PVEMGMOWXQUWRD-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Anisoles Benzofurans Coumarans Hexoses Hydrocarbon derivatives Isoflavanols O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Isoflavan Isoflavanol Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pterocarpan Secondary alcohol Pterocarpans a small molecule logp 1.26 ALOGPS logs -2.72 ALOGPS solubility 8.16e-01 g/l ALOGPS melting_point Mp 270-272° logp 0.24 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxane-3,4,5-triol ChemAxon average_mass 432.4206 ChemAxon mono_mass 432.142032366 ChemAxon smiles COC1=CC2=C(C=C1)C1COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C1O2 ChemAxon formula C22H24O9 ChemAxon inchi InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3 ChemAxon inchikey PVEMGMOWXQUWRD-UHFFFAOYSA-N ChemAxon polar_surface_area 127.07 ChemAxon refractivity 105.21 ChemAxon polarizability 43.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14736 Specdb::CMs 43541 Specdb::CMs 130704 Specdb::CMs 138438 Specdb::MsMs 101055 Specdb::MsMs 101056 Specdb::MsMs 101057 Specdb::MsMs 166557 Specdb::MsMs 166558 Specdb::MsMs 166559 Specdb::MsMs 2393500 Specdb::MsMs 2393501 Specdb::MsMs 2393502 Specdb::MsMs 2572556 Specdb::MsMs 2572557 Specdb::MsMs 2572558 HMDB33855 #<Reference:0x000055ce32c0da90> Alfalfa Type 1 specific Medicago sativa 3879 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442