MetaADEDB 2.0 @ LMMD
sesamin
(PEYUIKBAABKQKQ-AFHBHXEDSA-N)
Structure
SMILES
C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Molecular Formula:
C20H18O6
Molecular Weight:
354.353
Log P:
3.2192
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
55.38
CAS Number(s):
133-05-1; 607-80-7; 81602-22-4
Synonym(s)
1.
sesamin
2.
asarinin
3.
epi-sesamin
4.
episesamin
5.
sesamin, (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer
6.
sesamin, (1R-(1alpha,3aalpha,4beta,6aalpha))-isomer
External Link(s)
MeSHC054125
PubChem Compound72307
ChEBI66470
CHEMBLCHEMBL252915
KEGGcpd:C10882
ZINC1668768
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120234

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.