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Arctigenin methyl ether

PubChem CID: 384877

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Compound Synonyms Arctigenin methyl ether, Dimethylmatairesinol, 25488-59-9, Methylarctigenin, MACULATIN, UNII-9TF8GZN966, 9TF8GZN966, 2,3-Bis(3,4-dimethoxybenzyl)butyrolactone, (-)-ARCITIN, (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one, 4,4'-DIMETHYLMATAIRESINOL, MATAIRESINOL DIMETHYL ETHER, 2(3H)-Furanone, 3,4-bis((3,4-dimethoxyphenyl)methyl)dihydro-, (3R-trans)-, 2(3H)-FURANONE, 3,4-BIS((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-, (3R,4R)-, (3r,4r)-3,4-bis(3,4-dimethoxybenzyl)dihydrofuran-2(3h)-one, NSC675473, (-)-maculatin, 3,4-Bis(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone, Iriflophenone 2-O--rhamnoside, CHEMBL476709, SCHEMBL18677702, Arctigenin methyl ether, Maculatin, Maculatin (lignan), Matairesinol dimethyl ether, DTXSID101341854, HY-N3761, AKOS032948440, FD65292, FS-9661, NSC-675473, DA-72787, CS-0024168, AA-504/21163063, Q27273182, [2-[(6-Deoxy--L-mannopyranosyl)oxy]-4,6-dihydroxyphenyl](4-hydroxyphenyl)methanone
Topological Polar Surface Area 63.2
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 497.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Prediction Hob 1.0
Xlogp 3.9
Molecular Formula C22H26O6
Prediction Swissadme 1.0
Inchi Key SNAOLIMFHAAIER-DLBZAZTESA-N
Fcsp3 0.4090909090909091
Logs -3.627
Rotatable Bond Count 8.0
Logd 3.862
Compound Name Arctigenin methyl ether
Prediction Hob Swissadme 1.0
Exact Mass 386.173
Formal Charge 0.0
Monoisotopic Mass 386.173
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 386.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.488395657142858
Inchi InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1
Smiles COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OC)OC)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0