Summary
SMILES: COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2C(=O)c2c1cc1OCOc1c2InChI: InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19+/m0/s1InChIKey: ISCQYPPCSYRZOT-MJXNMMHHSA-N
DeepSMILES: COcccccc6OC)))OC))))[C@H][C@@H]C=O)OC[C@@H]5C=O)cc9ccOCOc5c9
Scaffold Graph/Node/Bond level: O=C1c2cc3c(cc2C(c2ccccc2)C2C(=O)OCC12)OCO3
Scaffold Graph/Node level: OC1OCC2C(O)C3CC4OCOC4CC3C(C3CCCCC3)C12
Scaffold Graph level: CC1CCC2C(C)C3CC4CCCC4CC3C(C3CCCCC3)C12
Functional groups: COC(C)=O; c1cOCO1; cC(C)=O; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lignans, neolignans and related compoundsClassyFire Class: Lignan lactones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Arylnaphthalene and aryltetralin lignans
Synonymous chemical names:picropodophyllone
External chemical identifiers:CID:3083574; ChEMBL:CHEMBL82303; ZINC:ZINC000026489484; SureChEMBL:SCHEMBL18381519
Chemical structure download