General Information of the Compound
| Compound ID |
CP0247540
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| Compound Name |
1-[3-[1-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]ethanone
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| Structure |
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| Formula |
C31H40O8
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| Molecular Weight |
540.653
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| Canonical SMILES |
CC(C)CC(c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O
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| InChI |
InChI=1S/C31H40O8/c1-14(2)9-11-19-26(34)22(17(7)32)30(38)24(28(19)36)21(13-16(5)6)25-29(37)20(12-10-15(3)4)27(35)23(18(8)33)31(25)39/h9-10,16,21,34-39H,11-13H2,1-8H3
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| InChIKey |
PUFVTIYJMOUQOF-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