Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D06YCQ
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| Former ID |
DNC013634
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| Drug Name |
Procyanidin B-2 3,3'-di-O-gallate
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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 |
C44H34O20
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| Canonical SMILES |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C<br />(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)<br />O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
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| InChI |
1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1
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| InChIKey |
KTLUHRSHFRODPS-RIQPQZJCSA-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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