MetaADEDB 2.0 @ LMMD
bruceantin
(IRQXZTBHNKVIRL-GOTQHHPNSA-N)
Structure
SMILES
COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(C)C)\C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Molecular Formula:
C28H36O11
Molecular Weight:
548.579
Log P:
1.1531
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
3
TPSA:
165.89
CAS Number(s):
41451-75-6
Synonym(s)
1.
bruceantin
External Link(s)
MeSHC002550
PubChem Compound5281304
ChEBI3188
CHEMBLCHEMBL509895
KEGGcpd:C08749
ZINC30726685
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Lymphoma19412536CTD
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