General Information of the Compound
| Compound ID |
CP0555141
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| Compound Name |
2-[(E)-[(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-3-oxo-1,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydropicen-2-ylidene]methoxy]-4-methyl-2H-furan-5-one
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| Structure |
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| Formula |
C36H52O4
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| Molecular Weight |
548.808
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| Canonical SMILES |
CC1=CC(O\C=C2/C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]43C)C(C)(C)C2=O)OC1=O
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| InChI |
InChI=1S/C36H52O4/c1-22-18-28(40-30(22)38)39-21-23-19-34(7)26(32(4,5)29(23)37)12-13-36(9)27(34)11-10-24-25-20-31(2,3)14-15-33(25,6)16-17-35(24,36)8/h10,18,21,25-28H,11-17,19-20H2,1-9H3/b23-21+/t25-,26-,27+,28?,33+,34-,35+,36+/m0/s1
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| InChIKey |
VNHMSMQGJUTEBG-KVSDOBIUSA-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