MetaADEDB 2.0 @ LMMD
cinobufagin
(SCULJPGYOQQXTK-OLRINKBESA-N)
Structure
SMILES
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)OC(=O)C)C)C
Molecular Formula:
C26H34O6
Molecular Weight:
442.545
Log P:
3.7999
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
1
TPSA:
89.27
CAS Number(s):
470-37-1
Synonym(s)
1.
cinobufagin
External Link(s)
MeSHC002471
PubChem Compound11969542
ChEBI80805
CHEMBLCHEMBL250785
KEGGcpd:C16931
ZINC4215351
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Osteosarcoma23164673CTD
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