General Information of the Compound
| Compound ID |
CP0391292
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| Compound Name |
(1S)-1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
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| Structure |
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| Formula |
C34H22O8
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| Molecular Weight |
558.542
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| Canonical SMILES |
Cc1cc2-c3ccc(O)cc3O[C@@]3(Oc4cc(cc(O)c4-c(c1)c23)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O
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| InChI |
InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3/t34-/m1/s1
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| InChIKey |
SMHBZVSVLIBGGO-UUWRZZSWSA-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
Protein ID: PT05732, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Protein ID: PT03605, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1