General Information of the Compound
| Compound ID |
CP0645493
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| Compound Name |
Tetradecanoic acid 9a-acetoxy-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester
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| Synonyms |
12-O-tetradecanoylphorbol-13-acetate
TPA
phorbol 12-myristate 13-acetate
tetradecanoyl-beta-phorbol acetate
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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 |
CCCCCCCCCCCCCC(=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(C)=O
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| InChI |
InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
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| InChIKey |
PHEDXBVPIONUQT-RGYGYFBISA-N
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| CAS |
11016-13-0
11019-85-5
20839-11-6
26894-58-6
27534-73-2
27936-27-2
16561-29-8
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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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Clinical Information about the Compound
Drug 1 ( phorbol 12-myristate 13-acetate )
| Drug Name | phorbol 12-myristate 13-acetate | ||
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