Summary
SMILES: OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)OInChI: InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9-,12+,13-,14-/m0/s1InChIKey: ZHZZKRDEPZMPLJ-WLVQVHLUSA-N
DeepSMILES: OCC=CC=O)C=CC)C[C@@H][C@@H][C@@H][C@@H]%107)OC=O)[C@H]5C))))))O
Scaffold Graph/Node/Bond level: O=C1CC2CCC=C3C(=O)C=CC3C2O1
Scaffold Graph/Node level: OC1CC2CCCC3C(O)CCC3C2O1
Scaffold Graph level: CC1CC2CCCC3C(C)CCC3C2C1
Functional groups: CC(=O)OC; CC1=CC(=O)C(=C(C)C)C1; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Lactones
ClassyFire Subclass: Gamma butyrolactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Guaiane sesquiterpenoids
Synonymous chemical names:11(s),13-dihydrolactucin, 11,13-dihydrolactucin, 11beta13-dihydrolactucin
External chemical identifiers:CID:9970764; ChEBI:90267; ZINC:ZINC000034057461; SureChEMBL:SCHEMBL14215974
Chemical structure download