Drug Information
Drug General Information | |||||
---|---|---|---|---|---|
Drug ID |
D0J1QQ
|
||||
Former ID |
DNC013647
|
||||
Drug Name |
Sanguiin H-6
|
||||
Indication | Discovery agent | Investigative | [526128] | ||
Structure |
Download2D MOL |
||||
Formula |
C82H54O52
|
||||
Canonical SMILES |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C6=C5C(=<br />O)OC7C(COC(=O)C8=CC(=C(C(=C86)O)O)O)OC(C9C7OC(=O)C2=CC(<br />=C(C(=C2C2=C(C(=C(C=C2C(=O)O9)O)O)O)O)O)O)OC(=O)C2=CC(=<br />C(C(=C2)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C<br />=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=<br />C2C(=O)O1)O)O)O)O)O)O
|
||||
InChI |
1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2/t34-,35-,64-,65-,67+,68+,69-,70-,81-,82+/m1/s1
|
||||
InChIKey |
FFZOOOCGCNFHAQ-GWOIDVGPSA-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.