1.0 2010-04-08 22:08:17 UTC 2019-11-26 03:03:19 UTC FDB008849 zeta-Carotene epoxide Isolated from cherry tomato (Lycopersicon esculentum). zeta-Carotene epoxide is found in garden tomato. 1,2-Epoxy-1,2-dihydro-z-carotene z-Carotene epoxide C40H60O 556.9038 556.464416542 3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaen-1-yl]-2,2-dimethyloxirane 3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaen-1-yl]-2,2-dimethyloxirane 93861-35-9 CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(\C)CCC1OC1(C)C InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14-,23-15+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29- WQKGZVZKMBRSEI-KSUSXTEYSA-N belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. Sesquaterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquaterpenoids Aliphatic heteromonocyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Sesquaterpenoid logp 9.55 ALOGPS logs -6.30 ALOGPS solubility 2.79e-04 g/l ALOGPS logp 11.68 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaen-1-yl]-2,2-dimethyloxirane ChemAxon average_mass 556.9038 ChemAxon mono_mass 556.464416542 ChemAxon smiles CC(C)=CCC\C(C)=C/CC\C(C)=C\C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(\C)CCC1OC1(C)C ChemAxon formula C40H60O ChemAxon inchi InChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14-,23-15+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29- ChemAxon inchikey WQKGZVZKMBRSEI-KSUSXTEYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 194.41 ChemAxon polarizability 73.03 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22001 Specdb::MsMs 108087 Specdb::MsMs 108088 Specdb::MsMs 108089 Specdb::MsMs 175224 Specdb::MsMs 175225 Specdb::MsMs 175226 Specdb::MsMs 2341086 Specdb::MsMs 2341087 Specdb::MsMs 2341088 Specdb::MsMs 2594305 Specdb::MsMs 2594306 Specdb::MsMs 2594307 HMDB32126 #<Reference:0x000055ce3278a270> Garden tomato Type 1 specific Solanum lycopersicum 4081