1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:18 UTC FDB015832 Phytoene 1,2-epoxide Isolated from ripe tomatoes. Phytoene 1,2-epoxide is found in garden tomato and garden tomato (variety). 1,2-Epoxy-1,2,7,7',8,8',11,11',12,12'-decahydro-psi,psi-carotene 1,2-Epoxy-1,2,7,7',8,8',11,11',12,12'-decahydro-y,y-carotene Phytoene 1,2-epoxide C40H64O 560.9356 560.49571667 3-[(3Z,7E,11E,13E,15E,19Z,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaen-1-yl]-2,2-dimethyloxirane 3-[(3Z,7E,11E,13E,15E,19Z,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaen-1-yl]-2,2-dimethyloxirane 26107-96-0 CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC1OC1(C)C InChI=1S/C40H64O/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/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24-,36-25-,37-26+,38-29- BCPVRLMAESAYCE-AFWJVYGRSA-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 9.76 ALOGPS logs -6.31 ALOGPS solubility 2.76e-04 g/l ALOGPS logp 12.4 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(3Z,7E,11E,13E,15E,19Z,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaen-1-yl]-2,2-dimethyloxirane ChemAxon average_mass 560.9356 ChemAxon mono_mass 560.49571667 ChemAxon smiles CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC1OC1(C)C ChemAxon formula C40H64O ChemAxon inchi InChI=1S/C40H64O/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/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24-,36-25-,37-26+,38-29- ChemAxon inchikey BCPVRLMAESAYCE-AFWJVYGRSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 192.18 ChemAxon polarizability 72.8 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16412 Specdb::MsMs 105282 Specdb::MsMs 105283 Specdb::MsMs 105284 Specdb::MsMs 171747 Specdb::MsMs 171748 Specdb::MsMs 171749 Specdb::MsMs 2276193 Specdb::MsMs 2276194 Specdb::MsMs 2276195 Specdb::MsMs 3092287 Specdb::MsMs 3092288 Specdb::MsMs 3092289 HMDB36875 #<Reference:0x000055ce32f2d680> Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755