MetaADEDB 2.0 @ LMMD
leonurine
(WNGSUWLDMZFYNZ-UHFFFAOYSA-N)
Structure
SMILES
COc1cc(cc(c1O)OC)C(=O)OCCCCN=C(N)N
Molecular Formula:
C14H21N3O5
Molecular Weight:
311.334
Log P:
2.0204
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
3
TPSA:
129.39
CAS Number(s):
20027-21-8; 24697-74-3
Synonym(s)
1.
leonurine
2.
4-guanidino-n-butyl syringate
3.
SCM-198
4.
SCM198
External Link(s)
MeSHC013587
PubChem Compound161464
ChEBI80843
CHEMBLCHEMBL1290284
KEGGcpd:C16985
Therapeutic Target DatabaseD08KHD
ZINC5998954
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120263

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.