1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:10 UTC FDB013848 7-Hydroxycostal Phytoalexin from Ipomoea batatas (sweet potato). 7-Hydroxycostal is found in sweet potato, root vegetables, and potato. (+)-7-Hydroxycostal 7-Hydroxycostal 7a-Hydroxy-4(15),11(13)-eudesmadien-12-al N-n-bis(beta-chloroethyl)-p-toluenesulfonamide N,N-Bis(2-chloroethyl)-p-toluenesulfonamide N,N-Bis(2-chloroethyl)-p-toluenesulphonamide C15H22O2 234.334 234.161979948 2-(2-hydroxy-4a-methyl-8-methylidene-decahydronaphthalen-2-yl)prop-2-enal 2-(2-hydroxy-4a-methyl-8-methylidene-hexahydro-1H-naphthalen-2-yl)prop-2-enal 86703-04-0 CC12CCCC(=C)C1CC(O)(CC2)C(=C)C=O InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3 VRDBEJGMTYROKE-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Aldehydes Cyclic alcohols and derivatives Enals Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Aldehyde Aliphatic homopolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Cyclic alcohol Enal Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 2.66 ALOGPS logs -3.36 ALOGPS solubility 1.01e-01 g/l ALOGPS melting_point Mp 123-124° logp 2.45 ChemAxon pka_strongest_acidic 14 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-(2-hydroxy-4a-methyl-8-methylidene-decahydronaphthalen-2-yl)prop-2-enal ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC12CCCC(=C)C1CC(O)(CC2)C(=C)C=O ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3 ChemAxon inchikey VRDBEJGMTYROKE-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 68.7 ChemAxon polarizability 26.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14444 Specdb::CMs 44248 Specdb::CMs 153135 Specdb::MsMs 54615 Specdb::MsMs 54616 Specdb::MsMs 54617 Specdb::MsMs 132930 Specdb::MsMs 132931 Specdb::MsMs 132932 Specdb::MsMs 2832948 Specdb::MsMs 2832949 Specdb::MsMs 2832950 Specdb::MsMs 2849174 Specdb::MsMs 2849175 Specdb::MsMs 2849176 HMDB35202 #<Reference:0x00005612724c4930> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic Sweet potato Type 1 specific Ipomoea batatas 4120