Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0T0XY
|
||||
| Former ID |
DNC013633
|
||||
| Drug Name |
THEASINENSIN A
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [526128] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C44H34O22
|
||||
| Canonical SMILES |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C<br />5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)<br />O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
|
||||
| InChI |
1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1
|
||||
| InChIKey |
YUULFXAQUWEYNP-GXAWFILRSA-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.