+Open data
-Basic information
Entry | Database: PDB chemical components / ID: T83 | ||
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Name | Name: Wikipedia | Wikipedia - Scopoletin: Scopoletin is a coumarin found in the root of plants in the genus Scopolia such as Scopolia carniolica and Scopolia japonica, in chicory, in Artemisia scoparia, in the roots and leaves of stinging nettle , in the passion flower, in Brunfelsia, in Viburnum prunifolium, in Solanum nigrum, in Datura metel, in Mallotus resinosus, or and in Kleinhovia hospita. It can also be found in fenugreek, vinegar, some whiskies or in dandelion coffee... | |
-Chemical information
Composition | Formula: C10H8O4 / Number of atoms: 22 / Formula weight: 192.168 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: T83 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DQP | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 4 items
PDB-8dqp:
Crystal structure of Arabidopsis thaliana COSY in complex with scopoletin
PDB-8j2s:
Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin, UDP-2F Glucose and Retinol
PDB-8j2t:
Glucosyl Transferase NbUGT72AY1 co-crystallized with UDP-2F glucose and Scopoletin
PDB-8j2v:
Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin