MetaADEDB 2.0 @ LMMD
nemadectin
(YNFMRVVYUVPIAN-AQUURSMBSA-N)
Structure
SMILES
CC(/C=C(/[C@H]1O[C@@]2(C[C@@H]3C[C@H](O2)C/C=C(\C)/C[C@@H](C)/C=C/C=C\2/[C@]4([C@H](C(=O)O3)C=C(C)[C@H]([C@H]4OC2)O)O)C[C@@H]([C@@H]1C)O)\C)C
Molecular Formula:
C36H52O8
Molecular Weight:
612.793
Log P:
5.0874
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
3
TPSA:
114.68
CAS Number(s):
102130-84-7
Synonym(s)
1.
nemadectin
2.
F 28249alpha
3.
F28249 alpha
4.
LL-F 28249alpha
5.
LL-F 28249beta
6.
LL-F 28249gamma
7.
LL-F28249 alpha
8.
LL-F28249 beta
9.
LL-F28249 gamma
10.
LL-F28249beta
11.
LL-F28249gamma
External Link(s)
MeSHC056041
PubChem Compound6436124
CHEMBLCHEMBL2103942
ZINC100306588
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Carcinoma20487225CTD
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