General Information of the Compound
| Compound ID |
CP0852735
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| Compound Name |
4alpha-Phorbol 12,13-dioctanoate
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| Structure |
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| Formula |
C36H56O8
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| Molecular Weight |
616.836
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| Canonical SMILES |
CCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCC
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| InChI |
InChI=1S/C36H56O8/c1-7-9-11-13-15-17-28(38)43-32-24(4)35(42)26(20-25(22-37)21-34(41)27(35)19-23(3)31(34)40)30-33(5,6)36(30,32)44-29(39)18-16-14-12-10-8-2/h19-20,24,26-27,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,26+,27-,30-,32-,34+,35-,36-/m1/s1
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| InChIKey |
ICJPQGPENGQAOZ-FAXDXWKVSA-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