MetaADEDB 2.0 @ LMMD
jasplakinolide
(GQWYWHOHRVVHAP-DHKPLNAMSA-N)
Structure
SMILES
C[C@@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Br)[nH]c3c2cccc3)N(C)C(=O)[C@@H](NC(=O)[C@H](C/C(=C/[C@@H](C1)C)/C)C)C)c1ccc(cc1)O
Molecular Formula:
C36H45BrN4O6
Molecular Weight:
709.670
Log P:
6.2973
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
4
TPSA:
140.83
CAS Number(s):
102396-24-7
Synonym(s)
1.
jasplakinolide
2.
NSC 613009
3.
jaspamide
External Link(s)
MeSHC057531
PubChem Compound9831636
ChEBI66104
CHEMBLCHEMBL257166
KEGGcpd:C16883
ZINC28108899
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Carcinoma, Lewis Lung23261645CTD
2Neoplasm Invasiveness22331491CTD
3Poisoning23261645CTD
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