MetaADEDB 2.0 @ LMMD
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone
(WDEABJKSGGRCQA-UHFFFAOYSA-N)
Structure
SMILES
OCC#CCCCC#CCCCCC1=C(C)C(=O)C(=C(C1=O)C)C
Molecular Formula:
C21H26O3
Molecular Weight:
326.429
Log P:
3.5209
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
1
TPSA:
54.37
CAS Number(s):
80809-81-0
Synonym(s)
1.
2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone
2.
AA 861
3.
AA-861
4.
AA861
External Link(s)
MeSHC036837
PubChem Compound1967
BindingDB50103621
ChEBI2340
CHEMBLCHEMBL304818
KEGGcpd:C01349
dr:D03882
Therapeutic Target DatabaseD06XRQ
ZINC1529186
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Edema7508328
7812673		CTD
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