MetaADEDB 2.0 @ LMMD
emamectin benzoate
(GCKZANITAMOIAR-XWVCPFKXSA-N)
Structure
SMILES
OC(=O)c1ccccc1.CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C
Molecular Formula:
C56H81NO15
Molecular Weight:
1008.240
Log P:
7.3802
Hydrogen Bond Acceptor:
16
Hydrogen Bond Donor:
4
TPSA:
199.16
CAS Number(s):
119791-41-2; 137512-74-4; 155569-91-8
Synonym(s)
1.
emamectin benzoate
2.
4''-deoxy-4''-epi-N-methylaminoavermectin b1 benzoate
3.
MK 244
4.
MK-244
External Link(s)
MeSHC108024
PubChem Compound11650986
22833503
CHEMBLCHEMBL1883852
Adverse Drug Event(s)
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