1.0 2010-04-08 22:10:46 UTC 2019-11-26 03:08:34 UTC FDB013545 Persicaxanthin Isolated from plums Prunus domestica. Persicaxanthin is found in fruits and european plum. (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-12'-apo-beta,psi-carotene-3,12'-diol 5,6-Epoxy-5,6-dihydro-12'-apo-b-carotene-3,12'-diol Persicaxanthin C25H36O3 384.5515 384.266445018 6-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 6-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 80952-82-5 C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- JQVNCYNADFKYNN-RXCALXPUSA-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 heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Oxepanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Diterpenoid Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Primary alcohol Secondary alcohol logp 5.69 ALOGPS logs -4.76 ALOGPS solubility 6.72e-03 g/l ALOGPS melting_point Mp 92° logp 4.06 ChemAxon pka_strongest_acidic 15.13 ChemAxon pka_strongest_basic -2 ChemAxon iupac 6-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol ChemAxon average_mass 384.5515 ChemAxon mono_mass 384.266445018 ChemAxon smiles C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C ChemAxon formula C25H36O3 ChemAxon inchi InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- ChemAxon inchikey JQVNCYNADFKYNN-RXCALXPUSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 123.2 ChemAxon polarizability 47.14 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69411 Specdb::MsMs 69412 Specdb::MsMs 69413 Specdb::MsMs 127683 Specdb::MsMs 127684 Specdb::MsMs 127685 Specdb::MsMs 2431678 Specdb::MsMs 2431679 Specdb::MsMs 2431680 Specdb::MsMs 2508016 Specdb::MsMs 2508017 Specdb::MsMs 2508018 Specdb::CMs 24642 Specdb::CMs 44104 Specdb::CMs 134933 Specdb::CMs 142667 HMDB34952 #<Reference:0x000055ce32700ea8> European plum Type 1 specific Prunus domestica 3758 Fruits Unknown generic