1.0 2010-04-08 22:14:02 UTC 2025-11-19 02:15:54 UTC FDB018955 3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside Constituent of fruit of Carum ajowan (ajowan) 3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside 3-Hydroxy-4-isopropylbenzyl alcohol 3-O-b-D-glucopyranoside C16H24O7 328.3576 328.152203122 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-(propan-2-yl)phenoxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-isopropylphenoxy]oxane-3,4,5-triol 359875-75-5 CC(C)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(CO)C=C1 InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3 IILRAPUPZQMHJL-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aromatic heteromonocyclic compounds Acetals Aromatic alcohols Aromatic monoterpenoids Benzyl alcohols Cumenes Hydrocarbon derivatives Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Phenylpropanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Aromatic monoterpenoid Benzenoid Benzyl alcohol Cumene Glycosyl compound Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-cymene Phenol ether Phenolic glycoside Phenoxy compound Phenylpropane Polyol Primary alcohol Secondary alcohol Terpene glycoside logp -0.02 ALOGPS logs -1.74 ALOGPS solubility 5.91e+00 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-2-(propan-2-yl)phenoxy]oxane-3,4,5-triol ChemAxon average_mass 328.3576 ChemAxon mono_mass 328.152203122 ChemAxon smiles CC(C)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(CO)C=C1 ChemAxon formula C16H24O7 ChemAxon inchi InChI=1S/C16H24O7/c1-8(2)10-4-3-9(6-17)5-11(10)22-16-15(21)14(20)13(19)12(7-18)23-16/h3-5,8,12-21H,6-7H2,1-2H3 ChemAxon inchikey IILRAPUPZQMHJL-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 81.19 ChemAxon polarizability 33.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25221 Specdb::CMs 46390 Specdb::CMs 132147 Specdb::CMs 139881 Specdb::MsMs 96390 Specdb::MsMs 96391 Specdb::MsMs 96392 Specdb::MsMs 160863 Specdb::MsMs 160864 Specdb::MsMs 160865 Specdb::MsMs 2699151 Specdb::MsMs 2699152 Specdb::MsMs 2699153 Specdb::MsMs 2983637 Specdb::MsMs 2983638 Specdb::MsMs 2983639 Specdb::NmrOneD 32662 Specdb::NmrOneD 32663 Specdb::NmrOneD 32664 Specdb::NmrOneD 32665 Specdb::NmrOneD 32666 Specdb::NmrOneD 32667 Specdb::NmrOneD 32668 Specdb::NmrOneD 32669 Specdb::NmrOneD 32670 Specdb::NmrOneD 32671 Specdb::NmrOneD 32672 Specdb::NmrOneD 32673 Specdb::NmrOneD 32674 Specdb::NmrOneD 32675 Specdb::NmrOneD 32676 Specdb::NmrOneD 32677 Specdb::NmrOneD 32678 Specdb::NmrOneD 32679 Specdb::NmrOneD 32680 Specdb::NmrOneD 32681 HMDB39385 #<Reference:0x000055ce325707a0>