Summary
SMILES: COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1C(=O)c1ccc(c(c1)OC)OInChI: InChI=1S/C20H20O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,21-22H,7,10H2,1-2H3/t13-,14+/m1/s1InChIKey: VBBXDTGECAKSAY-KGLIPLIRSA-N
DeepSMILES: COcccccc6O))))C[C@H]C=O)OC[C@@H]5C=O)cccccc6)OC)))O
Scaffold Graph/Node/Bond level: O=C1OCC(C(=O)c2ccccc2)C1Cc1ccccc1
Scaffold Graph/Node level: OC1OCC(C(O)C2CCCCC2)C1CC1CCCCC1
Scaffold Graph level: CC1CCC(C(C)C2CCCCC2)C1CC1CCCCC1
Functional groups: COC(C)=O; cC(C)=O; cO; 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:oxomatairesinol
External chemical identifiers:CID:11440181; ChEMBL:CHEMBL4204857; ZINC:ZINC000014646833
Chemical structure download