General Information of the Compound
| Compound ID |
CP0059763
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| Compound Name |
(4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-5-[2-(4-{4-[(10S,11S,14S,15S,17R)-14-hydroxy-15-methyl-5-oxo-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-17-yl]phenyl}phenoxy)ethoxy]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
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| Structure |
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| Formula |
C59H76O8
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| Molecular Weight |
913.249
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)-c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)cc1
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| InChI |
InChI=1S/C59H76O8/c1-6-25-59(65)27-24-48-45-18-14-39-30-41(60)15-19-44(39)54(45)46(34-57(48,59)4)38-10-8-36(9-11-38)37-12-16-42(17-13-37)66-28-29-67-43-23-26-56(3)40(31-43)32-51(61)55-49-21-20-47(35(2)7-22-53(63)64)58(49,5)52(62)33-50(55)56/h8-13,16-17,30,35,40,43,45-52,55,61-62,65H,7,14-15,18-24,26-29,31-34H2,1-5H3,(H,63,64)/t35-,40+,43+,45+,46-,47-,48+,49+,50+,51-,52+,55+,56+,57+,58-,59+/m1/s1
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| InChIKey |
PKNHZTQJOQQKDG-HOMQBUEISA-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