General Information of the Compound
| Compound ID |
CP0510011
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| Compound Name |
4alpha-Phorbol 12,13-dinonanoate
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| Structure |
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| Formula |
C38H60O8
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| Molecular Weight |
644.89
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| Canonical SMILES |
CCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCC
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| InChI |
InChI=1S/C38H60O8/c1-7-9-11-13-15-17-19-30(40)45-34-26(4)37(44)28(22-27(24-39)23-36(43)29(37)21-25(3)33(36)42)32-35(5,6)38(32,34)46-31(41)20-18-16-14-12-10-8-2/h21-22,26,28-29,32,34,39,43-44H,7-20,23-24H2,1-6H3/t26-,28+,29-,32-,34-,36+,37-,38-/m1/s1
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| InChIKey |
MCOPJFWROQYMMR-VUQSLQLNSA-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