General Information of the Compound
| Compound ID |
CP0407187
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| Compound Name |
(1S,4R,4aS,6S,6aR,9R,11aS,11bS)-1-acetoxy-6-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
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| Structure |
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| Formula |
C22H30O6
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| Molecular Weight |
390.476
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@](C)([C@H]2C[C@H](O)[C@@]34C[C@@H](CC[C@H]3[C@]12C)C(=C)C4=O)C(O)=O
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| InChI |
InChI=1S/C22H30O6/c1-11-13-5-6-14-21(4)15(9-16(24)22(14,10-13)18(11)25)20(3,19(26)27)8-7-17(21)28-12(2)23/h13-17,24H,1,5-10H2,2-4H3,(H,26,27)/t13-,14+,15-,16+,17+,20-,21+,22-/m1/s1
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| InChIKey |
ZTVNRCQJNOFPGA-MQAARBLVSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8