Summary
SMILES: CC1=C[C@H]2O[C@@H]3C[C@H]([C@]([C@]2(CC1=O)C)([C@@]13CO1)C)OInChI: InChI=1S/C15H20O4/c1-8-4-11-13(2,6-9(8)16)14(3)10(17)5-12(19-11)15(14)7-18-15/h4,10-12,17H,5-7H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1InChIKey: BURHPZJXARNGQY-LACSLYJWSA-N
DeepSMILES: CC=C[C@H]O[C@@H]C[C@H][C@][C@]7CC%11=O)))C))[C@]5CO3)))C))O
Scaffold Graph/Node/Bond level: O=C1C=CC2OC3CCC(C2C1)C31CO1
Scaffold Graph/Node level: OC1CCC2OC3CCC(C2C1)C31CO1
Scaffold Graph level: CC1CCC2CC3CCC(C2C1)C31CC1
Functional groups: CC(=O)C(C)=CC; CO; COC; C[C@@]1(C)CO1
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Sesquiterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Trichothecane sesquiterpenoids
Synonymous chemical names:trichothecolone
External chemical identifiers:CID:12444504; ChEMBL:CHEMBL481642; ZINC:ZINC000005757734
Chemical structure download