Summary
SMILES: COc1ccc(cc1OC)C[C@H]1COC(=O)[C@@H]1Cc1cc(OC)c(c(c1)OC)OCInChI: InChI=1S/C23H28O7/c1-25-18-7-6-14(10-19(18)26-2)8-16-13-30-23(24)17(16)9-15-11-20(27-3)22(29-5)21(12-15)28-4/h6-7,10-12,16-17H,8-9,13H2,1-5H3/t16-,17+/m0/s1InChIKey: QFFURUDOUPSWTF-DLBZAZTESA-N
DeepSMILES: COcccccc6OC))))C[C@H]COC=O)[C@@H]5CcccOC))ccc6)OC)))OC
Scaffold Graph/Node/Bond level: O=C1OCC(Cc2ccccc2)C1Cc1ccccc1
Scaffold Graph/Node level: OC1OCC(CC2CCCCC2)C1CC1CCCCC1
Scaffold Graph level: CC1CCC(CC2CCCCC2)C1CC1CCCCC1
Functional groups: COC(C)=O; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Furanoid lignans
ClassyFire Subclass: Tetrahydrofuran lignans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Dibenzylbutyrolactone lignans
Synonymous chemical names:(-)-di-o-methyl thujaplicatin methyl ether, (-)-di-o-methyl-thujaplicatin methyl ether
External chemical identifiers:CID:384878; ChEMBL:CHEMBL1990222
Chemical structure download