General Information of the Compound
| Compound ID |
CP0003371
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| Compound Name |
[(3R,8S,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C27H32O5
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| Molecular Weight |
436.548
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| Canonical SMILES |
CCCCCCC\C=C/[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C#CC#C[C@H](O)C=C
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| InChI |
InChI=1S/C27H32O5/c1-4-6-7-8-9-10-11-15-24(16-13-12-14-23(28)5-2)32-27(30)20-18-22-17-19-25(29)26(21-22)31-3/h5,11,15,17-21,23-24,28-29H,2,4,6-10H2,1,3H3/b15-11-,20-18+/t23-,24+/m1/s1
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| InChIKey |
OECWBZDIEAHTKW-LGDYLFJGSA-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