General Information of the Compound
| Compound ID |
CP0408111
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| Compound Name |
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-11-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylate
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| Structure |
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| Formula |
C36H52O5
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| Molecular Weight |
564.807
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| Canonical SMILES |
CCOC(=O)\C=C\C1=C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)OC)C(C)(C)C1=O
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| InChI |
InChI=1S/C36H52O5/c1-10-41-28(37)14-11-23-21-33(6)26(32(4,5)29(23)38)15-16-35(8)27(33)13-12-24-25-22-31(2,3)17-19-36(25,30(39)40-9)20-18-34(24,35)7/h11-12,14,21,25-27H,10,13,15-20,22H2,1-9H3/b14-11+/t25-,26-,27+,33-,34+,35+,36-/m0/s1
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| InChIKey |
YXFJJLOXDRZLKA-VXNOPPCUSA-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