1.0 2010-04-08 22:10:44 UTC 2018-05-28 19:18:45 UTC FDB013481 2,6-Cyclolycopene-1,5-diol Human metabolite of <ht>JR790-Z</ht> 1,2,5,6-Tetrahydro-2,6-cyclo-psi,psi-carotene-1,5-diol 1,5-Dihydroxyiridanyllycopene 2-(3,7,12,16,20,24-Hexamethyl-1,3,5,7,9,11,13,15,17,19,23-pentacosaundecaenyl)-3-hydroxy-a,a,3-trimethylcyclopentanemethanol, 9CI C40H58O2 570.8873 570.4436811 2-[(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-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol 2-[(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-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol 223744-29-4 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(CCC1(C)O)C(C)(C)O InChI=1S/C40H58O2/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)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+ VDFVQEJGOSCZNZ-HNNISBQLSA-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 homomonocyclic compounds Cyclic alcohols and derivatives Cyclopentanols Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclopentanol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquaterpenoid Tertiary alcohol logp 8.35 ALOGPS logs -5.93 ALOGPS solubility 6.67e-04 g/l ALOGPS logp 9.26 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-[(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-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol ChemAxon average_mass 570.8873 ChemAxon mono_mass 570.4436811 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(CCC1(C)O)C(C)(C)O ChemAxon formula C40H58O2 ChemAxon inchi InChI=1S/C40H58O2/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)27-28-38-37(39(8,9)41)29-30-40(38,10)42/h11-12,14-19,21-28,37-38,41-42H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+ ChemAxon inchikey VDFVQEJGOSCZNZ-HNNISBQLSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 197.64 ChemAxon polarizability 75.2 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23710 Specdb::CMs 44078 Specdb::CMs 282366 Specdb::CMs 369242 Specdb::CMs 369243 Specdb::CMs 369244 Specdb::CMs 369245 Specdb::CMs 369246 Specdb::MsMs 51333 Specdb::MsMs 51334 Specdb::MsMs 51335 Specdb::MsMs 116127 Specdb::MsMs 116128 Specdb::MsMs 116129 Specdb::MsMs 2232010 Specdb::MsMs 2232164 Specdb::MsMs 2279683 Specdb::MsMs 2279684 Specdb::MsMs 2279685 Specdb::MsMs 3089080 Specdb::MsMs 3089081 Specdb::MsMs 3089082 HMDB34902 #<Reference:0x000055ce33570150>