IUPAC name
(1S)-2-methyl-4-oxo-3-(2Z)-2-penten-1-yl-2-cyclopenten-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate
SMILES
CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](/C=C(\C)/C(=O)OC)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
jasmolin II
IUPAC name
(1S)-2-methyl-4-oxo-3-(2Z)-2-penten-1-yl-2-cyclopenten-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate
SMILES
CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](/C=C(\C)/C(=O)OC)C1(C)C
INCHI
InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
FORMULA
C22H30O5
Common name
jasmolin II
IUPAC name
(1S)-2-methyl-4-oxo-3-(2Z)-2-penten-1-yl-2-cyclopenten-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate
Molecular weight
374.471
clogP
4.826
clogS
-3.888
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
69.67
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF05385 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1(=C[C@@H]([C@H](C1=O)C)OC=O)C | 0.0052 |
| FDBF05386 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
[C@H]1(C(C1)(C)C)C(=O)O[C@@H]1[C@H](C(=O)C=C1)C | 0.0052 |
| FDBF05387 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
[C@H]1(C(C1)(C)C)C(=O)O[C@@H]1[C@H](C(=O)C(=C1)C)C | 0.0052 |
| FDBF05388 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
C1=C[C@@H]([C@H](C1=O)C)OC=O | 0.0052 |
