MetaADEDB 2.0 @ LMMD
icariin
(TZJALUIVHRYQQB-XLRXWWTNSA-N)
Structure
SMILES
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Type(s)
Investigational
Molecular Formula:
C33H40O15
Molecular Weight:
676.662
Log P:
0.0679
Hydrogen Bond Acceptor:
15
Hydrogen Bond Donor:
8
TPSA:
238.2
CAS Number(s):
489-32-7
Synonym(s)
1.
icariin
2.
3-((6-deoxymannopyranosyl)oxy)-7-(glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
External Link(s)
MeSHC056599
PubChem Compound5318997
BindingDB50027363
ChEBI78420
CHEMBLCHEMBL553204
DrugBankDB12052
KEGGcpd:C17555
ZINC3960893
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120239

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.