General Information of the Compound
| Compound ID |
CP0866307
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| Compound Name |
3-beta-hydroxy dihydro costunolide
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| Structure |
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| Formula |
C15H22O3
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| Molecular Weight |
250.338
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| Canonical SMILES |
C/C1=C\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)C2CC1
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| InChI |
InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,11-14,16H,4,6-7H2,1-3H3/b9-5+,10-8+/t11-,12?,13-,14+/m0/s1
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| InChIKey |
RLHPCSSGTQNSJN-YMHQTZQXSA-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
Protein ID: PT06764, Taste receptor type 2 member 10
Protein ID: PT06352, Taste receptor type 2 member 31
Protein ID: PT06350, Taste receptor type 2 member 46
Cell-based Assay