General Information of the Compound
| Compound ID |
CP0385305
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| Compound Name |
(1S,3R,5S,8E,12S,13R)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol
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| Structure |
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| Formula |
C20H34O3
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| Molecular Weight |
322.489
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| Canonical SMILES |
CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)CC\C(C)=C\CC[C@]1(C)O[C@@H]1C2
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| InChI |
InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7+/t16-,17+,18+,19-,20-/m0/s1
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| InChIKey |
ARTVDMKLQDTMGX-JOHZDJNTSA-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