1.0 2010-04-08 22:05:31 UTC 2025-11-18 22:40:35 UTC FDB002775 Aesculetin Metabolite of infected sweet potato. Aesculetin is found in many foods, some of which are root vegetables, wild carrot, sweet basil, and carrot. 2H-1-Benzopyran-2-one, 6,7-dihydroxy- 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI) 6,7-Dihydroxy-2-benzopyrone 6,7-Dihydroxy-2H-1-benzopyran-2-one 6,7-Dihydroxy-2H-chromen-2-one 6,7-Dihydroxy-coumarin 6,7-Dihydroxycoumarin 6,7-Dihydroxycoumarin, 8CI Aesculetin Aesculetin (cichorigenin Asculetine Cichorigenin CichorIIn aglucon CichorIIn aglycon Coumarin, 6, 7-dihydroxy- Coumarin, 6,7-dihydroxy- Coumarin, 6,7-dihydroxy- Esculetin Esculatin Esculetin Esculetol esculetol) Esculin aglucon Esculin aglycon C9H6O4 178.143 178.026608673 6,7-dihydroxy-2H-chromen-2-one esculetin 305-01-1 OC1=C(O)C=C2C=CC(=O)OC2=C1 InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ILEDWLMCKZNDJK-UHFFFAOYSA-N belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively. 6,7-dihydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 7-hydroxycoumarins Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 6,7-dihydroxycoumarin 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone a coumarin coumarins hydroxycoumarin logp 1.38 ALOGPS logs -1.59 ALOGPS solubility 4.60e+00 g/l ALOGPS melting_point Mp 270° logp 1.18 ChemAxon pka_strongest_acidic 7.91 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 6,7-dihydroxy-2H-chromen-2-one ChemAxon average_mass 178.143 ChemAxon mono_mass 178.026608673 ChemAxon smiles OC1=C(O)C=C2C=CC(=O)OC2=C1 ChemAxon formula C9H6O4 ChemAxon inchi InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H ChemAxon inchikey ILEDWLMCKZNDJK-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 45.51 ChemAxon polarizability 16.31 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1666 Specdb::CMs 6010 Specdb::CMs 27709 Specdb::CMs 42187 Specdb::CMs 100566 Specdb::CMs 172183 Specdb::MsIr 3988 Specdb::MsIr 3989 Specdb::MsIr 3990 Specdb::MsMs 53373 Specdb::MsMs 53374 Specdb::MsMs 53375 Specdb::MsMs 140640 Specdb::MsMs 140641 Specdb::MsMs 140642 Specdb::MsMs 436942 Specdb::MsMs 436943 Specdb::MsMs 436944 Specdb::MsMs 438627 Specdb::MsMs 439283 Specdb::MsMs 439284 Specdb::MsMs 439505 Specdb::MsMs 439508 Specdb::MsMs 439804 Specdb::MsMs 439805 Specdb::MsMs 444939 Specdb::MsMs 444940 Specdb::MsMs 444941 Specdb::MsMs 444942 Specdb::MsMs 444943 Specdb::MsMs 447313 Specdb::MsMs 448215 Specdb::MsMs 449565 Specdb::MsMs 449567 Specdb::NmrOneD 3865 Specdb::NmrOneD 4132 Specdb::NmrOneD 162229 Specdb::NmrOneD 162230 Specdb::NmrOneD 162231 Specdb::NmrOneD 162232 Specdb::NmrOneD 162233 Specdb::NmrOneD 162234 Specdb::NmrOneD 162235 Specdb::NmrOneD 162236 Specdb::NmrOneD 162237 Specdb::NmrOneD 162238 Specdb::NmrOneD 162239 Specdb::NmrOneD 162240 Specdb::NmrOneD 162241 Specdb::NmrOneD 162242 Specdb::NmrOneD 162243 Specdb::NmrOneD 162244 Specdb::NmrOneD 162245 Specdb::NmrOneD 162246 Specdb::NmrOneD 162247 Specdb::NmrOneD 162248 HMDB30819 #<Reference:0x000055ce31a088e0> Barley Type 1 specific Hordeum vulgare 4513 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 Chicory Type 1 specific Cichorium intybus 13427 Cocoa bean Type 1 specific Theobroma cacao 3641 Common bean Type 1 specific Phaseolus vulgaris 3885 Dandelion Type 1 specific Taraxacum officinale 50225 Dill Type 1 specific Anethum graveolens 40922 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Horseradish Type 1 specific Armoracia rusticana 3704 Mugwort Type 1 specific Artemisia vulgaris 4220 Olive Type 1 specific Olea europaea 4146 Opium poppy Type 1 specific Papaver somniferum 3469 Peanut Type 1 specific Arachis hypogaea 3818 Root vegetables Unknown generic Sherry Type 2 specific 0.116647 0.116647059 0.116647059 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Tarragon Type 1 specific Artemisia dracunculus 72341 Wild carrot Type 1 specific Daucus carota 4039 Wild leek Type 1 specific Allium ampeloprasum 4681 5-lipoxygenase inhibitor 10 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. 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 bacterial 145 A substance that kills or slows the growth of bacteria. Anti capillary-fragility 160 Anti dysenteric 238 Any substance introduced into a living organism with therapeutic or diagnostic purpose. 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 septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-arrhythmic 129 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. Anti-asthmatic 134 A drug used to treat asthma. Anti-escherichic 269 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-mutagenic 451 Anti-oxidant 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. Anti-staphylococcic 627 A substance that kills or slows the growth of bacteria. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Cardiodepressant 766 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. Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. Dermatitigenic 875 Fungicide 940 A substance used to destroy fungal pests. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. 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. Musculotropic 1124 Myorelaxant 1134 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. Prostaglandin synthesis inhibitor 1258 A substance that diminishes the rate of a chemical reaction. Sunscreen 1337 Any substance introduced into a living organism with therapeutic or diagnostic purpose. UV-screen 1407 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Xanthine oxidase inhibitor 1431 An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).