1.0 2010-04-08 22:05:31 UTC 2020-02-24 19:10:37 UTC FDB002776 Aesculin Vitamin C2 is generally considered a bioflavanoid, related to vitamin P Aesculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Aesculin is found in many foods, some of which are barley, mugwort, chicory, and lentils. 6,7-Dihydroxycoumarin 6-glucoside Aesculin Bicolorin Crataegin Enallachrome Escosyl Esculetin 6-&beta;-D-glucoside Esculetin 6-b-D-glucoside Esculetin 6-beta-D-glucoside Esculetin 6-O-glucoside Esculin Esculine Esculoside Polychrom Polychrome Vitamin C2 C15H16O9 340.2821 340.07943211 7-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one esculin 531-75-9 OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 XHCADAYNFIFUHF-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Coumarin glycosides Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 7-hydroxycoumarins Acetals Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxycoumarin Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin o-glycoside Coumarin-6-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxycoumarin Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol a small molecule logp -0.53 ALOGPS logs -1.52 ALOGPS solubility 1.03e+01 g/l ALOGPS melting_point Mp 205° logp -1.1 ChemAxon pka_strongest_acidic 8.12 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one ChemAxon average_mass 340.2821 ChemAxon mono_mass 340.07943211 ChemAxon smiles OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O ChemAxon formula C15H16O9 ChemAxon inchi InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2 ChemAxon inchikey XHCADAYNFIFUHF-UHFFFAOYSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 77.65 ChemAxon polarizability 31.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10753 Specdb::CMs 42188 Specdb::MsMs 439429 Specdb::MsMs 439430 Specdb::MsMs 439431 Specdb::MsMs 447314 Specdb::MsMs 449456 Specdb::MsMs 449461 Specdb::MsMs 17672 Specdb::MsMs 17673 Specdb::MsMs 17674 Specdb::MsMs 11000 Specdb::MsMs 11001 Specdb::MsMs 11002 HMDB30820 #<Reference:0x000055ac3f8c4448> Barley Type 1 specific Hordeum vulgare 4513 Beer Type 2 specific 0.01625 0.016250001 0.016250001 mg/100 g Chicory Type 1 specific Cichorium intybus 13427 Common bean Type 1 specific Phaseolus vulgaris 3885 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Lentils Type 1 generic Lens culinaris 3864 Mugwort Type 1 specific Artemisia vulgaris 4220 Olive Type 1 specific Olea europaea 4146 Sweet basil Type 1 specific Ocimum basilicum 39350 aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). analgesic 56 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. anti acrocyanotic 79 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti aging 95 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti alopecic 104 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti arthritic 131 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti capillary-fragility 160 anti cellulitic 170 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti CVS 214 anti dermatitic 225 A drug used to treat or prevent skin disorders or for the routine care of skin. anti erythemic 268 A drug used to treat or prevent skin disorders or for the routine care of skin. anti hemorrhoidal 322 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. anti inflammatory 370 A substance that reduces or suppresses inflammation. anti panniculopathic 506 anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. anti Raynaud's 573 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti seborrheic 600 Any substance introduced into a living organism with therapeutic or diagnostic purpose. antioxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. bacteristat 725 A substance that kills or slows the growth of bacteria. cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. cardiotonic 771 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. choleretic 801 cosmetic 838 The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. diuretic 883 An agent that promotes the excretion of urine through its effects on kidney function. hypertensive 1007 lipoxygenase inhibitor 1077 A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. microvasculokinetic 1104 paralytic 1196 sunscreen 1337 Any substance introduced into a living organism with therapeutic or diagnostic purpose. toxic 1371 A role played by the molecular entity or part thereof which causes the development of a pathological process. vasoprotective 1416