MetaADEDB 2.0 @ LMMD
azaspiracid
(AHFHSIVCLPAESC-SJVADWSCSA-N)
Structure
SMILES
OC(=O)CC/C=C/[C@@H]1CC=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@]1(O)O[C@@H]([C@H](C[C@H]1C)C)C(=C)C[C@]12C[C@H](C)C[C@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)O
Molecular Formula:
C47H71NO12
Molecular Weight:
842.066
Log P:
6.5846
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
4
TPSA:
163.63
CAS Number(s):
214899-21-5
Synonym(s)
1.
azaspiracid
2.
Azaspiracid-1
External Link(s)
MeSHC406592
PubChem Compound21593892
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cardiotoxicity26865666CTD
2Heart failure26865666CTD
3Necrosis20047973CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262

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.