General Information of the Compound
| Compound ID |
CP0423174
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| Compound Name |
[(1R,3Z,6S,7R,9R,10R,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate
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| Structure |
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| Formula |
C43H58O16
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| Molecular Weight |
830.921
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| Canonical SMILES |
CO[C@@H]1C(OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(=O)\C(C2[C@]23OC4(C)O[C@]12[C@]1(C)[C@@H](CC(=O)OC)C2(C)CC1(O4)[C@](OC)(C2OC(C)=O)[C@H]3OC)=C(/OC)C(C)C)c1ccoc1
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| InChI |
InChI=1S/C43H58O16/c1-20(2)27(49-11)26-28-37(7,29(55-33(26)47)23-15-16-53-18-23)30(56-32(46)21(3)4)31(50-12)43-38(8)24(17-25(45)48-10)36(6)19-40(38)42(52-14,34(36)54-22(5)44)35(51-13)41(28,43)58-39(9,57-40)59-43/h15-16,18,20-21,24,28-31,34-35H,17,19H2,1-14H3/b27-26-/t24-,28?,29-,30?,31+,34?,35-,36?,37+,38+,39?,40?,41+,42-,43-/m0/s1
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| InChIKey |
UXEQRVDJXHNPFC-YZWLQPDGSA-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: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3