Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A9RM
|
|||
| Former ID |
DIB020763
|
|||
| Drug Name |
prunetin
|
|||
| Synonyms |
4',5-dihydroxy-7-methoxyisoflavone
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C16H12O5
|
|||
| Canonical SMILES |
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
|
|||
| InChI |
1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
|
|||
| InChIKey |
KQMVAGISDHMXJJ-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 552-59-0
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
12704, 6469357, 8145928, 8616790, 11341764, 11361947, 11363921, 11366483, 11369045, 11372363, 11375244, 11377207, 11487349, 11491217, 11493537, 11494841, 14799800, 24887970, 29204509, 39315412, 47405848, 47628451, 47702461, 48151092, 48422036, 49889635, 50122965, 52391342, 53790017, 57358397, 57390633, 57652916, 60914067, 85293087, 85789731, 91702039, 93165605, 103597581, 113855977, 118499765, 124597571, 126689126, 128420221, 135024846, 136964014, 137008118, 137570303, 162205020, 162223451, 163137539
|
|||
| ChEBI ID |
CHEBI:8600
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6919). | |||
| REF 2 | Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase. J Med Chem. 2008 Aug 14;51(15):4482-7. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.