General Information of the Compound
| Compound ID |
CP0385302
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| Compound Name |
[(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] benzoate
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| Structure |
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| Formula |
C27H38O3
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| Molecular Weight |
410.598
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| Canonical SMILES |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)c1ccccc1
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| InChI |
InChI=1S/C27H38O3/c1-20(2)27-17-16-22(4)11-9-10-21(3)14-15-24(26(5,30-27)18-19-27)29-25(28)23-12-7-6-8-13-23/h6-8,10,12-13,16,20,24H,9,11,14-15,17-19H2,1-5H3/b21-10+,22-16+/t24-,26+,27+/m0/s1
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| InChIKey |
AKGLTDYPASAOIS-XEYDJRIMSA-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: PT00633, Heat sensitive channel TRPV3
Protein ID: PT01503, Signal transducer and activator of transcription 3