General Information of the Compound
| Compound ID |
CP0858293
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| Compound Name |
Lumi-4alpha-Phorbol 12,13-didecanoate
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| Structure |
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| Formula |
C40H64O7
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| Molecular Weight |
656.945
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| Canonical SMILES |
CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C4C([C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC)C1(CO)C[C@H]3C(=O)C41C
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| InChI |
InChI=1S/C40H64O7/c1-7-9-11-13-15-17-19-21-27(42)46-35-25(3)39(45)29-26-23-38(24-41)31(30(29)37(38,6)34(26)44)32(39)33-36(4,5)40(33,35)47-28(43)22-20-18-16-14-12-10-8-2/h25-26,29-33,35,41,45H,7-24H2,1-6H3/t25-,26-,29+,30?,31?,32+,33-,35-,37?,38?,39+,40-/m1/s1
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| InChIKey |
CRKYLQFXMOPIAZ-WPWJYHCZSA-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: PT05418, Transient receptor potential cation channel subfamily V member 4