Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0F9KV
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| Former ID |
DNC013641
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| Drug Name |
1(beta)-O-galloylpedunculagin
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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 |
C41H28O26
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| Canonical SMILES |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=<br />C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C<br />(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
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| InChI |
1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2
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| InChIKey |
SWRFKGRMQVLMKA-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Squalene monooxygenase | Target Info | Inhibitor | [526128] | |
| PathWhiz Pathway | Steroid Biosynthesis | ||||
| References | |||||
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