Summary
SMILES: O=C1C[C@H](C)C2=C[C@H]3[C@@H](C[C@]2(C1)C)OC(=O)C3=CInChI: InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3/t8-,11+,13+,15+/m0/s1InChIKey: DSTJGYCTYZXZNH-DGFVYPATSA-N
DeepSMILES: O=CC[C@H]C)C=C[C@H][C@@H]C[C@]6C%10)C)))OC=O)C5=C
Scaffold Graph/Node/Bond level: C=C1C(=O)OC2CC3CC(=O)CCC3=CC12
Scaffold Graph/Node level: CC1C(O)OC2CC3CC(O)CCC3CC21
Scaffold Graph level: CC1CCC2CC3C(CC(C)C3C)CC2C1
Functional groups: C=C1CCOC1=O; CC(C)=CC; CC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Eudesmane sesquiterpenoids
Synonymous chemical names:2-oxo-alantolactone, 2-oxoalantolactone
External chemical identifiers:CID:73356469; ChEMBL:CHEMBL2380793; ZINC:ZINC000096269582
Chemical structure download