C15 H18 O2
A1MBP
(3~{a}~{R},6~{a}~{S},9~{a}~{R},9~{b}~{S})-3,6,9-trimethylidene-3~{a},4,5,6~{a},7,8,9~{a},9~{b}-octahydroazuleno[4,5-b]furan-2-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3~{a}~{R},6~{a}~{S},9~{a}~{R},9~{b}~{S})-3,6,9-trimethylide...Show more
Formula
Standard InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13+,14+/m1/s1
Standard InChI Key
NETSQGRTUNRXEO-MQYQWHSLSA-N
SMILES
C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CCC3=C)OC(=O)C2=C
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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