1.0 2010-04-08 22:07:04 UTC 2025-11-18 23:01:31 UTC FDB006299 (+)-Cycloolivil (+)-cycloolivil is a member of the class of compounds known as 9,9p-dihydroxyaryltetralin lignans. 9,9p-dihydroxyaryltetralin lignans are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9'- position (+)-cycloolivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-cycloolivil can be found in olive, which makes (+)-cycloolivil a potential biomarker for the consumption of this food product. C20H24O7 376.4004 376.152203122 4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol 4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol COC1=CC2=C(C=C1O)C(C(CO)C(O)(CO)C2)C1=CC(OC)=C(O)C=C1 InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3 KCIQZCNOUZCRGH-UHFFFAOYSA-N belongs to the class of organic compounds known as 9,9p-dihydroxyaryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9'- position. 9,9p-dihydroxyaryltetralin lignans Organic compounds Lignans, neolignans and related compounds Aryltetralin lignans 9,9p-dihydroxyaryltetralin lignans Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Phenoxy compounds Primary alcohols Tertiary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid 9,9p-dihydroxyaryltetralin lignan Alcohol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Primary alcohol Tertiary alcohol Tetralin logp 1.07 ALOGPS logs -3.36 ALOGPS solubility 1.65e-01 g/l ALOGPS logp 0.74 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol ChemAxon average_mass 376.4004 ChemAxon mono_mass 376.152203122 ChemAxon smiles COC1=CC2=C(C=C1O)C(C(CO)C(O)(CO)C2)C1=CC(OC)=C(O)C=C1 ChemAxon formula C20H24O7 ChemAxon inchi InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3 ChemAxon inchikey KCIQZCNOUZCRGH-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 99.22 ChemAxon polarizability 39.29 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57285 Specdb::MsMs 57286 Specdb::MsMs 57287 Specdb::MsMs 112923 Specdb::MsMs 112924 Specdb::MsMs 112925 Specdb::MsMs 3602759 Specdb::MsMs 3602760 Specdb::MsMs 3602761 Specdb::MsMs 3602762 Specdb::MsMs 3602763 Specdb::MsMs 3602764 Olive Type 1 specific Olea europaea 4146