MetaADEDB 2.0 @ LMMD
mezerein
(DLEDLHFNQDHEOJ-UDTOXTEMSA-N)
Structure
SMILES
OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1
Molecular Formula:
C38H38O10
Molecular Weight:
654.702
Log P:
3.1242
Hydrogen Bond Acceptor:
10
Hydrogen Bond Donor:
3
TPSA:
144.28
CAS Number(s):
34807-41-5
Synonym(s)
1.
mezerein
2.
1alpha-alkyldaphnane
3.
5-phenyl-2,4-pentadionate daphnetoxin
4.
daphnane
5.
tigliane-daphnane
External Link(s)
MeSHC011309
PubChem Compound24832075
ZINC8234259
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Papilloma12065085CTD
2Skin Neoplasms3098411
12065085
CTD
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.