General Information of the Compound
| Compound ID |
CP0964772
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| Compound Name |
dihydro costunolide
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| Structure |
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| Formula |
C15H22O2
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| Molecular Weight |
234.339
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| Canonical SMILES |
C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1
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| InChI |
InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5+,11-9+/t12-,13-,14+/m0/s1
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| InChIKey |
OVDMFKGCVWVONO-BSTGVKIKSA-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