General Information of the Compound
| Compound ID |
CP0481575
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| Compound Name |
1-[3-[1-[3-acetyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-methylbutyl]-5-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]ethanone
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| Structure |
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| Formula |
C41H56O8
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| Molecular Weight |
676.891
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| Canonical SMILES |
CC(C)CC(c1c(O)c(C\C=C(\C)CCC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(C\C=C(/C)CCC=C(C)C)c(O)c(C(C)=O)c1O
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| InChI |
InChI=1S/C41H56O8/c1-22(2)13-11-15-25(7)17-19-29-36(44)32(27(9)42)40(48)34(38(29)46)31(21-24(5)6)35-39(47)30(37(45)33(28(10)43)41(35)49)20-18-26(8)16-12-14-23(3)4/h13-14,17-18,24,31,44-49H,11-12,15-16,19-21H2,1-10H3/b25-17-,26-18+
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| InChIKey |
CVUNZUGAIPMNSI-WTHRLWDASA-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