General Information of the Compound
| Compound ID |
CP0416367
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| Compound Name |
(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C26H30O6
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| Molecular Weight |
438.52
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| Canonical SMILES |
COc1cc(O)c(cc1C\C=C(/C)CCC=C(C)C)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
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| InChI |
InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-9-17-10-19(20(28)13-23(17)31-4)24-14-22(30)26-21(29)11-18(27)12-25(26)32-24/h6,8,10-13,24,27-29H,5,7,9,14H2,1-4H3/b16-8+/t24-/m0/s1
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| InChIKey |
CZVSHXUUSIQWSO-CECMFTGFSA-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: PT03605, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Protein ID: PT05732, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1