1.0 2010-04-08 22:06:55 UTC 2025-11-18 23:00:33 UTC FDB005955 Lignans Podofilox, also called podophyllotoxin, is a purer and more stable form of podophyllin in which only the biologically active portion of the compound is present. Podofilox is used to remove certain types of warts on the outside skin of the genital areas. Lignans is found in arrowroot and flaxseed. Picropodophyllin Picropodophyllotoxin Podophyllotoxin C22H22O8 414.4053 414.13146768 (10R,11S,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one epipodophyllotoxins 477-47-4 COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2C(COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12 InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1 YJGVMLPVUAXIQN-BCVBHCCTSA-N belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one). Podophyllotoxins Organic compounds Lignans, neolignans and related compounds Lignan lactones Podophyllotoxins Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Aryltetralin lignans Benzodioxoles Carbonyl compounds Carboxylic acid esters Furanonaphthodioxoles Gamma butyrolactones Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Secondary alcohols Tetrahydrofurans Tetralins 1-aryltetralin lignan Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Gamma butyrolactone Hydrocarbon derivative Lactone Linear furanonaphthodioxole Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Podophyllotoxin Secondary alcohol Tetrahydrofuran Tetralin Lignans logp 2.37 ALOGPS logs -3.56 ALOGPS solubility 1.14e-01 g/l ALOGPS melting_point 228 oC logp 1.62 ChemAxon pka_strongest_acidic 14.02 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (10R,11S,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one ChemAxon average_mass 414.4053 ChemAxon mono_mass 414.13146768 ChemAxon smiles COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2C(COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12 ChemAxon formula C22H22O8 ChemAxon inchi InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1 ChemAxon inchikey YJGVMLPVUAXIQN-BCVBHCCTSA-N ChemAxon polar_surface_area 92.68 ChemAxon refractivity 103.9 ChemAxon polarizability 41.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16286 Specdb::CMs 42491 Specdb::CMs 133452 Specdb::CMs 141186 Specdb::MsMs 91386 Specdb::MsMs 91387 Specdb::MsMs 91388 Specdb::MsMs 154764 Specdb::MsMs 154765 Specdb::MsMs 154766 Specdb::MsMs 2787388 Specdb::MsMs 2787389 Specdb::MsMs 2787390 Specdb::MsMs 2919074 Specdb::MsMs 2919075 Specdb::MsMs 2919076 HMDB31452 Amaranth Type 1 specific Amaranthus 3564 Annual wild rice Type 1 specific Zizania aquatica 75727 Arrowroot Type 1 specific Maranta arundinacea 210060 Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Bulgur Type 2 specific Cereals and cereal products Unknown generic Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Flaxseed Type 1 specific Linum usitatissimum 4006 Flour Type 2 specific Hard wheat Type 1 specific Triticum durum 4567 Millet Type 1 specific Panicum miliaceum 4540 Oat Type 1 specific Avena sativa 4498 Oriental wheat Type 1 specific Triticum turanicum 376534 Quinoa Type 1 specific Chenopodium quinoa 63459 Red rice Type 1 specific Oryza rufipogon 4529 Rice Type 1 specific Oryza sativa 4530 Rye Type 1 specific Secale cereale 4550 Sorghum Type 1 specific Sorghum bicolor 4558 Soy bean Type 1 specific Glycine max 3847 Spelt Type 1 specific Triticum spelta 58933 Tartary buckwheat Type 1 specific Fagopyrum tataricum 62330 Teff Type 1 specific Eragrostis tef 110835 Triticale Type 1 specific X Triticosecale rimpaui Wheat Type 1 specific Triticum 4564 Wild rice Type 1 specific Zizania 15949 Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Anti estrogenic 272 A substance that diminishes the rate of a chemical reaction. Anti mycotic 456 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-viral 689 A substance that destroys or inhibits replication of viruses. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Cardiovascular 773 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. Cathartic 784 Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic.