1.0 2010-04-08 22:15:07 UTC 2019-11-26 03:19:09 UTC FDB020581 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol Isolated from Suillus granulatus (granulated bolete). 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is found in mushrooms. 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol C27H40O3 412.6047 412.297745146 4-methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,3-diol 4-methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,3-diol 126398-85-4 COC1=C(O)C=C(O)C=C1C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)19-26(29)27(24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ IYYFMQHGUZBMKD-MLAGYPMBSA-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 Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4-alkoxyphenols Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4-alkoxyphenol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Diterpenoid Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Resorcinol logp 7.46 ALOGPS logs -5.52 ALOGPS solubility 1.26e-03 g/l ALOGPS logp 7.92 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-methoxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,3-diol ChemAxon average_mass 412.6047 ChemAxon mono_mass 412.297745146 ChemAxon smiles COC1=C(O)C=C(O)C=C1C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C ChemAxon formula C27H40O3 ChemAxon inchi InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)19-26(29)27(24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ ChemAxon inchikey IYYFMQHGUZBMKD-MLAGYPMBSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 132.13 ChemAxon polarizability 50.47 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25236 Specdb::CMs 46955 Specdb::CMs 166255 Specdb::MsMs 321907 Specdb::MsMs 321908 Specdb::MsMs 321909 Specdb::MsMs 369658 Specdb::MsMs 369659 Specdb::MsMs 369660 Specdb::MsMs 2739163 Specdb::MsMs 2739164 Specdb::MsMs 2739165 Specdb::MsMs 2970177 Specdb::MsMs 2970178 Specdb::MsMs 2970179 HMDB40765 #<Reference:0x000055ce324bc250> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322