1.0 2010-04-08 22:14:25 UTC 2019-11-26 03:17:36 UTC FDB019539 1-Formylneogrifolin Constituent of Albatrellus ovinus. 1-Formylneogrifolin is found in mushrooms. 1-Formylneogrifolin 2,4-Dihydroxy-6-methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzaldehyde C23H32O3 356.4984 356.23514489 4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde 4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=CC(O)=C1O InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ ZLQKZPMAXCSTJG-VZRGJMDUSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoyl derivatives Catechols Hydrocarbon derivatives Hydroxybenzaldehydes Meta cresols Organic oxides Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid Aldehyde Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Catechol Farsesane sesquiterpenoid Hydrocarbon derivative Hydroxybenzaldehyde M-cresol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-cresol Phenol Sesquiterpenoid Toluene logp 5.82 ALOGPS logs -5.22 ALOGPS solubility 2.17e-03 g/l ALOGPS melting_point Mp 98-102° logp 6.64 ChemAxon pka_strongest_acidic 7.39 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde ChemAxon average_mass 356.4984 ChemAxon mono_mass 356.23514489 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(C)C(C=O)=CC(O)=C1O ChemAxon formula C23H32O3 ChemAxon inchi InChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ ChemAxon inchikey ZLQKZPMAXCSTJG-VZRGJMDUSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 113.49 ChemAxon polarizability 42.47 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14518 Specdb::CMs 46615 Specdb::CMs 134247 Specdb::CMs 141981 Specdb::MsMs 80151 Specdb::MsMs 80152 Specdb::MsMs 80153 Specdb::MsMs 140937 Specdb::MsMs 140938 Specdb::MsMs 140939 Specdb::MsMs 2677545 Specdb::MsMs 2677546 Specdb::MsMs 2677547 Specdb::MsMs 3030731 Specdb::MsMs 3030732 Specdb::MsMs 3030733 HMDB39880 #<Reference:0x000055ce326012a0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322