1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:17 UTC FDB015830 Alloxanthin Constituent of many shellfish including the giant scallop (Pecten maximus) and edible mussel (Mytilus edulis). Alloxanthin is found in channel catfish and mollusks. 7,7',8,8'-Tetradehydro-b,b-carotene-3,3'-diol Cryptomonaxanthin Manixanthin Pectenoxanthin C40H52O2 564.8397 564.396730908 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 28380-31-6 C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+ DVICWXUADSCSLL-PJQROKOUSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Diterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.72 ALOGPS logs -5.77 ALOGPS solubility 9.49e-04 g/l ALOGPS melting_point Mp 188-190° (186-188°) logp 8.24 ChemAxon pka_strongest_acidic 18.72 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 564.8397 ChemAxon mono_mass 564.396730908 ChemAxon smiles C\C(\C=C\C=C(/C)C#CC1=C(C)CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C ChemAxon formula C40H52O2 ChemAxon inchi InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+ ChemAxon inchikey DVICWXUADSCSLL-PJQROKOUSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 191.44 ChemAxon polarizability 73.35 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22570 Specdb::CMs 45096 Specdb::CMs 282094 Specdb::CMs 358983 Specdb::CMs 358984 Specdb::CMs 358985 Specdb::MsMs 104133 Specdb::MsMs 104134 Specdb::MsMs 104135 Specdb::MsMs 170340 Specdb::MsMs 170341 Specdb::MsMs 170342 Specdb::MsMs 2741506 Specdb::MsMs 2741507 Specdb::MsMs 2741508 Specdb::MsMs 2940749 Specdb::MsMs 2940750 Specdb::MsMs 2940751 HMDB36874 #<Reference:0x000055ce31bf9e88> Channel catfish Type 1 specific Ictalurus punctatus 7998 Mollusks Unknown generic 6447