1.0 2010-04-08 22:15:07 UTC 2019-11-26 03:19:09 UTC FDB020580 Bolegrevilol Isolated from Suillus grevillei (larch bolete). Bolegrevilol is found in mushrooms. 4-Acetoxy-5-geranylgeranyl-1,3-benzenediol Bolegrevilol C28H40O4 440.6148 440.292659768 2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate 2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate 123941-64-0 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(O)=CC(O)=C1OC(C)=O InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ MZWQVUHXBWQZLY-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol esters Phenoxy compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ester Phenoxy compound Resorcinol logp 7.45 ALOGPS logs -5.52 ALOGPS solubility 1.32e-03 g/l ALOGPS logp 8.33 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,4-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]phenyl acetate ChemAxon average_mass 440.6148 ChemAxon mono_mass 440.292659768 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(O)=CC(O)=C1OC(C)=O ChemAxon formula C28H40O4 ChemAxon inchi InChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-18-26(30)19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+ ChemAxon inchikey MZWQVUHXBWQZLY-MLAGYPMBSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 136.8 ChemAxon polarizability 52.56 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17517 Specdb::CMs 46954 Specdb::CMs 150354 Specdb::MsMs 304765 Specdb::MsMs 304766 Specdb::MsMs 304767 Specdb::MsMs 348058 Specdb::MsMs 348059 Specdb::MsMs 348060 Specdb::MsMs 2460430 Specdb::MsMs 2460431 Specdb::MsMs 2460432 Specdb::MsMs 2478284 Specdb::MsMs 2478285 Specdb::MsMs 2478286 HMDB40764 #<Reference:0x000055ce32c74470> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322