MetaADEDB 2.0 @ LMMD
decursin
(CUKSFECWKQBVED-INIZCTEOSA-N)
Structure
SMILES
O=C(C=C(C)C)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C
Molecular Formula:
C19H20O5
Molecular Weight:
328.359
Log P:
3.3845
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
0
TPSA:
65.74
CAS Number(s):
5928-25-6
Synonym(s)
1.
decursin
2.
2-butenoic acid, 2-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-7-yl ester, (2Z)-
3.
2H,6H-benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (S)-
4.
decursinol
5.
decursinol angelate
External Link(s)
MeSHC101278
PubChem Compound442126
BindingDB50361396
ChEBI4353
CHEMBLCHEMBL481658
KEGGcpd:C09258
ZINC4097976
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Amnesia12482674CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120269

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.