1.0 2010-04-08 22:10:46 UTC 2019-11-26 03:08:34 UTC FDB013546 Apo-12'-violaxanthal Isolated from plums Prunus domestica. Apo-12'-violaxanthal is found in fruits. 5,6-Epoxy-5,6-dihydro-3b-hydroxy-12'-apo-b-caroten-12'-al Apo-12'-violaxanthal C25H34O3 382.5357 382.250794954 (2Z,4E,6E,8E,10Z,12E)-13-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal (2Z,4E,6E,8E,10Z,12E)-13-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal C\C(C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C InChI=1S/C25H34O3/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/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- CAXVJDRXJFKYQP-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 Aldehydes Cyclic alcohols and derivatives Dialkyl ethers Enals Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Cyclic alcohol Dialkyl ether Diterpenoid Enal Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol logp 5.84 ALOGPS logs -5.05 ALOGPS solubility 3.42e-03 g/l ALOGPS logp 4.37 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2Z,4E,6E,8E,10Z,12E)-13-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal ChemAxon average_mass 382.5357 ChemAxon mono_mass 382.250794954 ChemAxon smiles C\C(C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C ChemAxon formula C25H34O3 ChemAxon inchi InChI=1S/C25H34O3/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/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- ChemAxon inchikey CAXVJDRXJFKYQP-RXCALXPUSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 122.22 ChemAxon polarizability 46.14 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21792 Specdb::CMs 44105 Specdb::CMs 158181 Specdb::MsMs 96528 Specdb::MsMs 96529 Specdb::MsMs 96530 Specdb::MsMs 161019 Specdb::MsMs 161020 Specdb::MsMs 161021 Specdb::MsMs 2707721 Specdb::MsMs 2707722 Specdb::MsMs 2707723 Specdb::MsMs 3000631 Specdb::MsMs 3000632 Specdb::MsMs 3000633 HMDB34953 #<Reference:0x000055ce318c6040> Fruits Unknown generic