General Information of the Compound
| Compound ID |
CP0115434
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| Compound Name |
(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-phenylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C27H34O2
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| Molecular Weight |
390.567
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| Canonical SMILES |
CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C27H34O2/c1-20(2)16-17-26-24(14-9-15-25(26)23-12-6-5-7-13-23)18-21(3)10-8-11-22(4)19-27(28)29/h5-8,10-13,18-20H,9,14-17H2,1-4H3,(H,28,29)/b11-8+,21-10-,22-19+,24-18+
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| InChIKey |
VJBLGOPDTIBPFN-JNRBUOIVSA-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