General Information of the Compound
| Compound ID |
CP0471716
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| Compound Name |
[(3S,4E)-4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] acetate
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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]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
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| InChI |
InChI=1S/C22H30O6/c1-13-5-8-18-21(3,10-9-19(25)22(18,4)12-23)16(13)7-6-15-17(28-14(2)24)11-27-20(15)26/h6,16-18,23H,1,5,7-12H2,2-4H3/b15-6+/t16-,17-,18+,21+,22+/m1/s1
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| InChIKey |
QKPNUXQYVKDLSB-YTVPBXPZSA-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: PT01503, Signal transducer and activator of transcription 3