General Information of the Compound
| Compound ID |
CP0385303
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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] (E)-3-phenylprop-2-enoate
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| Structure |
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| Formula |
C29H40O3
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| Molecular Weight |
436.636
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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)\C=C\c1ccccc1
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| InChI |
InChI=1S/C29H40O3/c1-22(2)29-19-18-24(4)11-9-10-23(3)14-16-26(28(5,32-29)20-21-29)31-27(30)17-15-25-12-7-6-8-13-25/h6-8,10,12-13,15,17-18,22,26H,9,11,14,16,19-21H2,1-5H3/b17-15+,23-10+,24-18+/t26-,28+,29+/m0/s1
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| InChIKey |
IFHFKXGQWZWLHN-WAZGHUEVSA-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