[English] 日本語
Yorodumi- ChemComp-WIN: methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WIN | ||
---|---|---|---|
Name | Name: Synonyms: Bruceantin; Picras-3-en-21-oic acid; (11beta,12alpha,15beta)-15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester Comment | antitumor, antineoplastic*YM | |
-Chemical information
Composition | Formula: C28H36O11 / Number of atoms: 75 / Formula weight: 548.579 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: WIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G71 | ||||||
History |
| ||||||
External links | UniChem / ChEBI / ChEMBL / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 1 items
PDB-3g71:
Co-crystal structure of Bruceantin bound to the large ribosomal subunit