1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:07:59 UTC FDB013115 Hebevinoside IX Toxic constituent of the toxic mushroom Hebeloma vinosophyllum. Hebevinoside IX is found in mushrooms. 6-3-O-p-D-Xylopyranoside Hebevinoside IX C35H58O7 590.8308 590.41825421 2-{[9,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol 2-{[9,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol 101365-11-1 CC(CCC=C(C)C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C InChI=1S/C35H58O7/c1-19(2)10-9-11-20(3)27-24(37)17-35(8)30-23(36)16-22-21(33(30,6)14-15-34(27,35)7)12-13-26(32(22,4)5)42-31-29(40)28(39)25(38)18-41-31/h10,16,20-21,23-31,36-40H,9,11-15,17-18H2,1-8H3 QQKQWCLXOKWADM-UHFFFAOYSA-N belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Cucurbitacin glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 16-hydroxysteroids 7-hydroxysteroids Acetals Cucurbitacins Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Pentoses Polyols Secondary alcohols Triterpenoids 16-hydroxysteroid 7-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pentose monosaccharide Polyol Secondary alcohol Triterpenoid logp 4.15 ALOGPS logs -4.75 ALOGPS solubility 1.06e-02 g/l ALOGPS logp 4.15 ChemAxon pka_strongest_acidic 12.25 ChemAxon pka_strongest_basic -0.26 ChemAxon iupac 2-{[9,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 590.8308 ChemAxon mono_mass 590.41825421 ChemAxon smiles CC(CCC=C(C)C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C ChemAxon formula C35H58O7 ChemAxon inchi InChI=1S/C35H58O7/c1-19(2)10-9-11-20(3)27-24(37)17-35(8)30-23(36)16-22-21(33(30,6)14-15-34(27,35)7)12-13-26(32(22,4)5)42-31-29(40)28(39)25(38)18-41-31/h10,16,20-21,23-31,36-40H,9,11-15,17-18H2,1-8H3 ChemAxon inchikey QQKQWCLXOKWADM-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 164.29 ChemAxon polarizability 68.57 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81831 Specdb::MsMs 81832 Specdb::MsMs 81833 Specdb::MsMs 143040 Specdb::MsMs 143041 Specdb::MsMs 143042 Specdb::MsMs 2671227 Specdb::MsMs 2671228 Specdb::MsMs 2671229 Specdb::MsMs 3011061 Specdb::MsMs 3011062 Specdb::MsMs 3011063 Specdb::CMs 25439 Specdb::CMs 43949 Specdb::CMs 282866 Specdb::CMs 418871 Specdb::CMs 418872 Specdb::CMs 418873 Specdb::CMs 418874 Specdb::CMs 418875 Specdb::CMs 418876 Specdb::CMs 418877 Specdb::CMs 418878 Specdb::CMs 418879 Specdb::CMs 418880 Specdb::CMs 418881 Specdb::CMs 418882 Specdb::CMs 418883 Specdb::CMs 418884 Specdb::CMs 418885 Specdb::CMs 418886 Specdb::CMs 418887 Specdb::CMs 418888 Specdb::CMs 418889 Specdb::CMs 418890 Specdb::CMs 418891 Specdb::CMs 418892 HMDB34599 #<Reference:0x000055ce2ea60188> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322