General Information of the Compound
| Compound ID |
CP0247541
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| Compound Name |
Acrofolione A
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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)c2c3OC(Cc3c(O)c(C(C)=O)c2O)C(C)(C)O)c(O)c1C(C)=O
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| InChI |
InChI=1S/C32H42O9/c1-14(2)10-11-18-26(35)24(29(38)23(17(6)34)30(18)40-9)19(12-15(3)4)25-28(37)22(16(5)33)27(36)20-13-21(32(7,8)39)41-31(20)25/h10,15,19,21,35-39H,11-13H2,1-9H3
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| InChIKey |
OUNVYFMBWBYCMV-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