1.0 2010-04-08 22:05:23 UTC 2019-11-26 02:57:29 UTC FDB002466 epsilon,gamma-Caroten-3-ol Isolated from ripe tomatoes, comfrey and kale. epsilon,gamma-Caroten-3-ol is found in brassicas, herbs and spices, and garden tomato. 3-Hydroxy-a-zeacarotene e,y-Caroten-3-ol Monol 487 C40H56O 552.872 552.433116414 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol 75324-12-8 CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-29,38-39,41H,13,20,30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+ DKHPMPVMENETGL-HNNISBQLSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 8.87 ALOGPS logs -5.95 ALOGPS solubility 6.24e-04 g/l ALOGPS logp 10.34 ChemAxon pka_strongest_acidic 18.22 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol ChemAxon average_mass 552.872 ChemAxon mono_mass 552.433116414 ChemAxon smiles CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C ChemAxon formula C40H56O ChemAxon inchi InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-29,38-39,41H,13,20,30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+ ChemAxon inchikey DKHPMPVMENETGL-HNNISBQLSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 196.49 ChemAxon polarizability 73.31 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18861 Specdb::CMs 42007 Specdb::CMs 281800 Specdb::CMs 337660 Specdb::MsMs 45390 Specdb::MsMs 45391 Specdb::MsMs 45392 Specdb::MsMs 113127 Specdb::MsMs 113128 Specdb::MsMs 113129 Specdb::MsMs 2463249 Specdb::MsMs 2463250 Specdb::MsMs 2463251 Specdb::MsMs 2499683 Specdb::MsMs 2499684 Specdb::MsMs 2499685 HMDB30576 #<Reference:0x000055ce317ec750> Brassicas Unknown generic 3705 Garden tomato Type 1 specific Solanum lycopersicum 4081 Herbs and Spices Unknown generic