General Information of the Compound
| Compound ID |
CP0938746
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| Compound Name |
3-beta-hydroxy dihydro costunolide acetate
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| Structure |
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| Formula |
C17H24O4
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| Molecular Weight |
292.375
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| Canonical SMILES |
CC(=O)O[C@H]1C/C=C(\C)CCC2[C@H](C)C(=O)O[C@@H]2/C=C/1C
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| InChI |
InChI=1S/C17H24O4/c1-10-5-7-14-12(3)17(19)21-16(14)9-11(2)15(8-6-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+/t12-,14?,15-,16+/m0/s1
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| InChIKey |
GYXQQENGZKKHNQ-DBMSJDPXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound