General Information of the Compound
| Compound ID |
CP0548779
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| Compound Name |
1-[6-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]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)c3CC(O)C(C)(C)Oc3c(C(C)=O)c2O)c(O)c1C(C)=O
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| InChI |
InChI=1S/C32H42O9/c1-14(2)10-11-18-26(36)24(28(38)22(16(5)33)30(18)40-9)19(12-15(3)4)25-27(37)20-13-21(35)32(7,8)41-31(20)23(17(6)34)29(25)39/h10,15,19,21,35-39H,11-13H2,1-9H3
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| InChIKey |
WBBFPTADSLHEAT-UHFFFAOYSA-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