1.0 2010-04-08 22:06:25 UTC 2025-11-18 22:57:39 UTC FDB004836 4-Deoxy-2,3-dihydromycosinol 4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product. 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiyn-1-ylidene)- 2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene 3-(Hexa-2,4-diyn-1-ylidene)-4,8-dioxaspiro[4.4]non-1-ene 4-Deoxy-2,3-dihydromycosinol En-yn-dicycloether Mycosinol; 4-Deoxy, 2,3-dihydro Tonghaosu C13H12O2 200.2332 200.083729628 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene 16863-61-9 CC#CC#CC=C1OC2(CCCO2)C=C1 InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3 WTRXKCNFPMTAJV-UHFFFAOYSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Dihydrofuran Hydrocarbon derivative Ketal Organoheterocyclic compound Oxacycle Tetrahydrofuran logp 3.30 ALOGPS logs -3.91 ALOGPS solubility 2.46e-02 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene ChemAxon average_mass 200.2332 ChemAxon mono_mass 200.083729628 ChemAxon smiles CC#CC#CC=C1OC2(CCCO2)C=C1 ChemAxon formula C13H12O2 ChemAxon inchi InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3 ChemAxon inchikey WTRXKCNFPMTAJV-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 62.47 ChemAxon polarizability 22.54 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94476 Specdb::MsMs 94477 Specdb::MsMs 94478 Specdb::MsMs 158508 Specdb::MsMs 158509 Specdb::MsMs 158510 Specdb::MsMs 3601040 Specdb::MsMs 3601041 Specdb::MsMs 3601042 Specdb::MsMs 3601043 Specdb::MsMs 3601044 Specdb::MsMs 3601045 Roman camomile Type 1 specific Chamaemelum nobile 99037 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-anaphylactic 111 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. 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.