1.0 2010-04-08 22:10:41 UTC 2019-11-26 03:08:23 UTC FDB013409 Acteoside The main hydroxycinnamic deriv. in olives. Acteoside is found in many foods, some of which are olive, lemon verbena, bitter gourd, and common verbena. Acteoside Kusaginin Verbascoside C29H36O15 624.5871 624.205420482 6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate verbascoside 61276-17-3 CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+ FBSKJMQYURKNSU-QPJJXVBHSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 12-hydroxysteroids Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 12-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid logp 1.09 ALOGPS logs -2.81 ALOGPS solubility 9.66e-01 g/l ALOGPS logp 0.82 ChemAxon pka_strongest_acidic 9.01 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate ChemAxon average_mass 624.5871 ChemAxon mono_mass 624.205420482 ChemAxon smiles CC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C29H36O15 ChemAxon inchi InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+ ChemAxon inchikey FBSKJMQYURKNSU-QPJJXVBHSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 148.4 ChemAxon polarizability 61.69 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72684 Specdb::MsMs 72685 Specdb::MsMs 72686 Specdb::MsMs 131661 Specdb::MsMs 131662 Specdb::MsMs 131663 Specdb::MsMs 2280970 Specdb::MsMs 2280971 Specdb::MsMs 2280972 Specdb::MsMs 3084730 Specdb::MsMs 3084731 Specdb::MsMs 3084732 Specdb::CMs 26387 Specdb::CMs 44056 Specdb::CMs 559950 Specdb::CMs 559951 Specdb::CMs 559952 Specdb::CMs 559953 Specdb::CMs 559954 Specdb::CMs 559955 Specdb::CMs 559956 Specdb::CMs 559957 Specdb::CMs 559958 Specdb::CMs 559959 Specdb::CMs 559960 Specdb::CMs 559961 Specdb::CMs 559962 Specdb::CMs 559963 Specdb::CMs 559964 Specdb::CMs 559965 Specdb::CMs 559966 Specdb::CMs 559967 Specdb::CMs 559968 Specdb::CMs 559969 Specdb::CMs 559970 Specdb::CMs 559971 Specdb::CMs 559972 HMDB34843 #<Reference:0x00005612734997c0> #<Reference:0x0000561273499608> #<Reference:0x0000561273499400> #<Reference:0x0000561273498fa0> Bitter gourd Type 1 specific Momordica charantia 3673 Common verbena Type 1 specific Verbena officinalis 79772 1365.0 1365.0 1365.0 mg/100 g Fruits Unknown generic Lemon verbena Type 1 specific Aloysia triphylla 542672 39.400002 39.400001526 39.400001526 mg/100 g Olive Type 1 specific Olea europaea 4146 28.428516 68.08554684 0.0 mg/100 g Sesame Type 1 specific Sesamum orientale 4182 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 feedant 275 anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. anti hypertensive 352 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti inflammatory 370 A substance that reduces or suppresses inflammation. anti leukemic 393 A substance that inhibits or prevents the proliferation of neoplasms. anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. anti staph 626 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. antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process. fungicide 940 A substance used to destroy fungal pests. hypertensive 1007 immunosuppressant 1033 An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. 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. 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. phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it. protein kinase C inhibitor 1231 An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).