MetaADEDB 2.0 @ LMMD
Monocrotaline
(QVCMHGGNRFRMAD-XFGHUUIASA-N)
Structure
SMILES
O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O
Molecular Formula:
C16H23NO6
Molecular Weight:
325.357
Log P:
-0.4547
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
2
TPSA:
96.3
CAS Number(s):
315-22-0
Synonym(s)
1.
Monocrotaline
2.
Monocrotaline Hydrochloride (13alpha,14alpha)-Isomer
3.
Monocrotaline, (all-xi)-Isomer
External Link(s)
MeSHD016686
PubChem Compound9415
ChEBI6980
CHEMBLCHEMBL521035
KEGGcpd:C10350
Therapeutic Target DatabaseD0G6AB
ZINC53195720
Adverse Drug Event(s)
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