MetaADEDB 2.0 @ LMMD
octyl gallate
(NRPKURNSADTHLJ-UHFFFAOYSA-N)
Structure
SMILES
CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
Molecular Formula:
C15H22O5
Molecular Weight:
282.332
Log P:
3.3207
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
3
TPSA:
86.99
CAS Number(s):
1034-01-1
Synonym(s)
1.
octyl gallate
2.
3,4,5-trihydroxybenzoic acid octyl ester
3.
octyl gallate dihydrate
External Link(s)
MeSHC016627
PubChem Compound61253
BindingDB50240376
ChEBI83631
CHEMBLCHEMBL277346
Therapeutic Target DatabaseD02ZSX
ZINC1632635
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact16191021CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120330

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.