Summary
SMILES: COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc2c(c1)OCO2InChI: InChI=1S/C20H20O6/c1-23-18-8-13(2-4-16(18)21)7-15-14(10-24-20(15)22)6-12-3-5-17-19(9-12)26-11-25-17/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15+/m0/s1InChIKey: OCTZTNYFALPGHW-LSDHHAIUSA-N
DeepSMILES: COcccccc6O))))C[C@H]C=O)OC[C@@H]5Ccccccc6)OCO5
Scaffold Graph/Node/Bond level: O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccccc1
Scaffold Graph/Node level: OC1OCC(CC2CCC3OCOC3C2)C1CC1CCCCC1
Scaffold Graph level: CC1CCC(CC2CCC3CCCC3C2)C1CC1CCCCC1
Functional groups: COC(C)=O; c1cOCO1; 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:pluviatolide
External chemical identifiers:CID:168759; ChEMBL:CHEMBL63962; ChEBI:90896; ZINC:ZINC000005999100; SureChEMBL:SCHEMBL18243823; MolPort-039-338-975
Chemical structure download