1.0 2010-04-08 22:14:25 UTC 2019-11-26 03:17:36 UTC FDB019544 3-Hydroxyneogrifolin Constituent of Albatrellus ovinus. 3-Hydroxyneogrifolin is found in mushrooms. 3-Hydroxyneogrifolin 5-Methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,2,3-benzenetriol C22H32O3 344.4877 344.23514489 5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,2,3-triol 5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,2,3-triol CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=C(O)C=C1C InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+ BACDZNLMIXNCOG-JTCWOHKRSA-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 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Meta cresols Para cresols Polyols Pyrogallols and derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenetriol Benzenoid Farsesane sesquiterpenoid Hydrocarbon derivative M-cresol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound P-cresol Phenol Polyol Pyrogallol derivative Sesquiterpenoid Toluene logp 5.94 ALOGPS logs -4.66 ALOGPS solubility 7.46e-03 g/l ALOGPS logp 6.62 ChemAxon pka_strongest_acidic 9.12 ChemAxon pka_strongest_basic -6 ChemAxon iupac 5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,2,3-triol ChemAxon average_mass 344.4877 ChemAxon mono_mass 344.23514489 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=C(O)C=C1C ChemAxon formula C22H32O3 ChemAxon inchi InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(23)22(25)21(19)24/h8,10,12,14,23-25H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+ ChemAxon inchikey BACDZNLMIXNCOG-JTCWOHKRSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 108.89 ChemAxon polarizability 41.3 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19238 Specdb::CMs 46617 Specdb::CMs 130496 Specdb::CMs 138230 Specdb::MsMs 86622 Specdb::MsMs 86623 Specdb::MsMs 86624 Specdb::MsMs 148959 Specdb::MsMs 148960 Specdb::MsMs 148961 Specdb::MsMs 2820606 Specdb::MsMs 2820607 Specdb::MsMs 2820608 Specdb::MsMs 2858402 Specdb::MsMs 2858403 Specdb::MsMs 2858404 HMDB39885 #<Reference:0x00007f093c078ab8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322