Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Z9YK
|
||||
| Former ID |
DNC013646
|
||||
| Drug Name |
Chebulinic acid
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [526128] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C41H32O27
|
||||
| Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(<br />C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C<br />(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
|
||||
| InChI |
1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1
|
||||
| InChIKey |
YGVHOSGNOYKRIH-AAYPSMFASA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Squalene monooxygenase | Target Info | Inhibitor | [526128] | |
| PathWhiz Pathway | Steroid Biosynthesis | ||||
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.