1.0 2010-04-08 22:05:17 UTC 2019-11-26 02:57:10 UTC FDB002208 Cavipetin B Constituent of the edible mushroom (Boletinus cavipes). Cavipetin B is found in mushrooms. Cavipetin B Dehydrodivanillyl alcohol C28H38O8 502.5965 502.256668192 (2E)-4-{[(2E,6E,10E,14E)-16-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}-4-oxobut-2-enoic acid (2E)-4-{[(2E,6E,10E,14E)-16-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}-4-oxobut-2-enoic acid 128530-03-0 C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O InChI=1S/C28H38O8/c1-21(10-6-12-23(3)18-19-35-27(33)16-14-25(29)30)8-5-9-22(2)11-7-13-24(4)20-36-28(34)17-15-26(31)32/h9-10,13-18H,5-8,11-12,19-20H2,1-4H3,(H,29,30)(H,31,32)/b16-14+,17-15+,21-10+,22-9+,23-18+,24-13+ AHOSPPOAEYRVLQ-WQNLBOQCSA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Acyclic diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Enoate esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tetracarboxylic acids and derivatives Acyclic diterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tetracarboxylic acid or derivatives logp 5.95 ALOGPS logs -6.08 ALOGPS solubility 4.18e-04 g/l ALOGPS melting_point Mp 86-87° logp 6.25 ChemAxon pka_strongest_acidic 3.29 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac (2E)-4-{[(2E,6E,10E,14E)-16-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}-4-oxobut-2-enoic acid ChemAxon average_mass 502.5965 ChemAxon mono_mass 502.256668192 ChemAxon smiles C\C(CC\C=C(/C)CC\C=C(/C)COC(=O)\C=C\C(O)=O)=C/CC\C(C)=C\COC(=O)\C=C\C(O)=O ChemAxon formula C28H38O8 ChemAxon inchi InChI=1S/C28H38O8/c1-21(10-6-12-23(3)18-19-35-27(33)16-14-25(29)30)8-5-9-22(2)11-7-13-24(4)20-36-28(34)17-15-26(31)32/h9-10,13-18H,5-8,11-12,19-20H2,1-4H3,(H,29,30)(H,31,32)/b16-14+,17-15+,21-10+,22-9+,23-18+,24-13+ ChemAxon inchikey AHOSPPOAEYRVLQ-WQNLBOQCSA-N ChemAxon polar_surface_area 127.2 ChemAxon refractivity 142.79 ChemAxon polarizability 55.92 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43554 Specdb::MsMs 43555 Specdb::MsMs 43556 Specdb::MsMs 166761 Specdb::MsMs 166762 Specdb::MsMs 166763 Specdb::MsMs 2472630 Specdb::MsMs 2472631 Specdb::MsMs 2472632 Specdb::MsMs 2490096 Specdb::MsMs 2490097 Specdb::MsMs 2490098 Specdb::CMs 24596 Specdb::CMs 41880 HMDB30362 #<Reference:0x000055ce3064a768> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322