1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:29 UTC FDB001470 syn-Copalyl diphosphate Syn-copalyl diphosphate is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, syn-copalyl diphosphate is considered to be an isoprenoid lipid molecule. Syn-copalyl diphosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Syn-copalyl diphosphate can be found in rice, which makes syn-copalyl diphosphate a potential biomarker for the consumption of this food product. 5alpha,9beta,10beta-labda-8(20),13-dien-15-yl diphosphate 9alpha-copalyl diphosphate syn-CPP C20H36O7P2 450.4432 450.19362653 [({[(2E)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid syn-copalyl diphosphate 845555-07-9 C\C(CC[C@@H]1C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C)=C/COP(O)(=O)OP(O)(O)=O InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,20-/m1/s1 JCAIWDXKLCEQEO-HZEYQZKKSA-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 homopolycyclic compounds Hydrocarbon derivatives Isoprenoid phosphates Monoalkyl phosphates Organic oxides Organic pyrophosphates Organooxygen compounds Aliphatic homopolycyclic compound Alkyl phosphate Diterpenoid Hydrocarbon derivative Isoprenoid phosphate Labdane diterpenoid Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organooxygen compound Phosphoric acid ester Labdane and halimane diterpenoids Labdane and halimane diterpenoids Labdanes copalyl diphosphate logp 3.50 ALOGPS logs -4.31 ALOGPS solubility 2.22e-02 g/l ALOGPS logp 4.61 ChemAxon pka_strongest_acidic 1.77 ChemAxon iupac [({[(2E)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 450.4432 ChemAxon mono_mass 450.19362653 ChemAxon smiles C\C(CC[C@@H]1C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C)=C/COP(O)(=O)OP(O)(O)=O ChemAxon formula C20H36O7P2 ChemAxon inchi InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,20-/m1/s1 ChemAxon inchikey JCAIWDXKLCEQEO-HZEYQZKKSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 113.8 ChemAxon polarizability 45.38 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81351 Specdb::MsMs 81352 Specdb::MsMs 81353 Specdb::MsMs 142443 Specdb::MsMs 142444 Specdb::MsMs 142445 Specdb::MsMs 3597484 Specdb::MsMs 3597485 Specdb::MsMs 3597486 Specdb::MsMs 3597487 Specdb::MsMs 3597488 Specdb::MsMs 3597489 29739 Rice Type 1 specific Oryza sativa 4530