General Information of the Compound
| Compound ID |
CP0534837
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| Compound Name |
1-[3-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-2,4,6-trihydroxy-5-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]ethanone
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| Structure |
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| Formula |
C32H42O9
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| Molecular Weight |
570.679
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| Canonical SMILES |
COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(C[C@H](O)C(C)=C)c(O)c(C(C)=O)c2O)c(O)c1C(C)=O
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| InChI |
InChI=1S/C32H42O9/c1-14(2)10-11-19-27(36)25(31(40)24(18(8)34)32(19)41-9)20(12-15(3)4)26-29(38)21(13-22(35)16(5)6)28(37)23(17(7)33)30(26)39/h10,15,20,22,35-40H,5,11-13H2,1-4,6-9H3/t20?,22-/m0/s1
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| InChIKey |
SQUFHQRMJAUERE-IAXKEJLGSA-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