Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA87LW
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| Ligand Name |
2-{[(1s,2r,4as,8ar)-1,2,4a-Trimethyl-5-Methylidenedecahydronaphthalen-1-Yl]methyl}cyclohexa-2,5-Diene-1,4-Dione
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| Synonyms |
Arenarone; 2-{[(1s,2r,4as,8ar)-1,2,4a-Trimethyl-5-Methylidenedecahydronaphthalen-1-Yl]methyl}cyclohexa-2,5-Diene-1,4-Dione; ZINC1612348; Q27452547; 2-[[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-1,4-benzoquinone; 2-((1S,2R,4aS,8aR)-1,2,4a-Trimethyl-5-methylene-decahydro-naphthalen-1-ylmethyl)-[1,4]benzoquinone
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| Structure |
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Download2D MOL |
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| Formula |
C21H28O2
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| Canonical SMILES |
CC1CCC2(C(C1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C
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| InChI |
1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1
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| InChIKey |
NXIFNLNXFPAWTO-QAJUQPOASA-N
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| PubChem Compound ID | ||||
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