General Information of the Compound
| Compound ID |
CP0410862
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| Compound Name |
[(1R,2S,5R,7S,10E,13S)-1,5,10-trimethyl-13-propan-2-yl-6,16-dioxatricyclo[11.2.1.05,7]hexadec-10-en-2-yl] acetate
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| Structure |
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| Formula |
C22H36O4
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| Molecular Weight |
364.526
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| Canonical SMILES |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC[C@@]1(C)O[C@H]1CC\C(C)=C\C2)OC(C)=O
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| InChI |
InChI=1S/C22H36O4/c1-15(2)22-12-9-16(3)7-8-19-20(5,25-19)11-10-18(24-17(4)23)21(6,26-22)13-14-22/h9,15,18-19H,7-8,10-14H2,1-6H3/b16-9+/t18-,19-,20+,21+,22+/m0/s1
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| InChIKey |
QYKARXZAAXHOJT-BKBTXCQASA-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