Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0QN6H
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| Former ID |
DNC013645
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| Drug Name |
Mallotusinic acid
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [526128] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C48H32O32
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| Canonical SMILES |
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=<br />C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=C<br />C(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)OC1=C(C(=C(C=<br />C1C(=O)O)O)O)O
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| InChI |
1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)
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| InChIKey |
MWPRJJBXNINUTQ-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Squalene monooxygenase | Target Info | Inhibitor | [526128] | |
| PathWhiz Pathway | Steroid Biosynthesis | ||||
| References | |||||
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