Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0H9BL
|
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| Former ID |
DNC014244
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| Drug Name |
Clinopodic acid C
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [530340] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C27H22O12
|
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| Canonical SMILES |
C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3=C(C=C2)OC(C(O3)C<br />(=O)O)C4=CC(=C(C=C4)O)O)O)O
|
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| InChI |
1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24+,25+/m1/s1
|
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| InChIKey |
KPKHMGUZUPELJC-RXYMDKBQSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 72 kDa type IV collagenase | Target Info | Inhibitor | [530340] | |
| PANTHER Pathway | Alzheimer disease-presenilin pathway | ||||
| Pathway Interaction Database | LPA receptor mediated events | ||||
| Plasma membrane estrogen receptor signaling | |||||
| Osteopontin-mediated events | |||||
| Validated transcriptional targets of AP1 family members Fra1 and Fra2 | |||||
| Angiopoietin receptor Tie2-mediated signaling | |||||
| Direct p53 effectors | |||||
| amb2 Integrin signaling | |||||
| ATF-2 transcription factor network | |||||
| FOXM1 transcription factor network | |||||
| Regulation of nuclear beta catenin signaling and target gene transcription | |||||
| Syndecan-2-mediated signaling events | |||||
| References | |||||
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