MetaADEDB 2.0 @ LMMD
pregna-4,17-diene-3,16-dione
(WDXRGPWQVHZTQJ-AUKWTSKRSA-N)
Structure
SMILES
C/C=C\1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Molecular Formula:
C21H28O2
Molecular Weight:
312.446
Log P:
4.6436
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
34.14
CAS Number(s):
39025-24-6; 95975-55-6
Synonym(s)
1.
pregna-4,17-diene-3,16-dione
2.
(E)-guggulsterone
3.
(Z)-guggulsterone
4.
guggulsterone
5.
pregna-4,17-diene-3,16-dione, (17E)-isomer
6.
pregna-4,17-diene-3,16-dione, (17Z)-isomer
External Link(s)
MeSHC023617
PubChem Compound6439929
BindingDB50226465
CHEMBLCHEMBL402063
IUPHAR/BPS Guide to PHARMACOLOGY2745
Therapeutic Target DatabaseD0G8BV
D0M7OZ
ZINC19132424
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Atherosclerosis17475222CTD
2Diabetes Mellitus17475222CTD
3Massive Hepatic Necrosis29660435CTD
4Multiple Myeloma17475222CTD
5Obesity17475222CTD
6leukemia17475222CTD
7melanoma17475222CTD
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