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- ChemComp-ROA: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: ( Synonyms: Rosmarinic acid |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ROA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QNL | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | ( | |
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-PDB entries
Showing all 5 items
![](data/pdb/img/3qnl.jpg)
PDB-3qnl:
Crystal structure of PrTX-I complexed to Rosmarinic Acid
![](data/pdb/img/4pwi.jpg)
PDB-4pwi:
Crystal structure of V30M mutant human transthyretin complexed with rosmarinic acid
![](data/pdb/img/6mqd.jpg)
PDB-6mqd:
Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid
![](data/pdb/img/7bm3.jpg)
PDB-7bm3:
Notum Rosmarinic acid complex
![](data/pdb/img/8yrh.jpg)
PDB-8yrh:
Complex of SARS-CoV-2 main protease and Rosmarinic acid