Summary
SMILES: COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)NC)O)c(OC)cc(c3)OCInChI: InChI=1S/C28H29NO7/c1-29-26(31)22-23(16-8-6-5-7-9-16)28(17-10-12-18(33-2)13-11-17)27(32,25(22)30)24-20(35-4)14-19(34-3)15-21(24)36-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1InChIKey: UUOCVXYUMKAOKK-GWNOIRNCSA-N
DeepSMILES: COcccccc6))[C@@]Occ[C@]5O)[C@@H][C@@H][C@H]8cccccc6)))))))C=O)NC))))O)))cOC))ccc6)OC
Scaffold Graph/Node/Bond level: c1ccc(C2CCC3c4ccccc4OC23c2ccccc2)cc1
Scaffold Graph/Node level: C1CCC(C2CCC3C4CCCCC4OC23C2CCCCC2)CC1
Scaffold Graph level: C1CCC(C2CCC3C4CCCCC4CC23C2CCCCC2)CC1
Functional groups: CNC(C)=O; CO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzofurans
ClassyFire Subclass: Flavaglines
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Stilbenoids
Synonymous chemical names:desmethyl rocaglamide, desmethylrocaglamide
External chemical identifiers:CID:9826915; ChEMBL:CHEMBL2269306; ZINC:ZINC000014687544; SureChEMBL:SCHEMBL17806058
Chemical structure download