PRB

13-ACETYLPHORBOL

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count8
Bond Count62
Aromatic Bond Count0
2D diagram of PRB
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Chemical Component Summary

Name13-ACETYLPHORBOL
Systematic Name (OpenEye OEToolkits)n/a
FormulaC22 H30 O7
Molecular Weight406.469
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C(=CC2C3(O)C(C)C(O)C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C
SMILESCACTVS3.341C[CH]1[CH](O)[C]2(OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C=C(C)C4=O)[C]13O)C2(C)C
SMILESOpenEye OEToolkits1.5.0CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)O
Canonical SMILESCACTVS3.341 C[C@@H]1[C@@H](O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O
InChIInChI1.03 InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1
InChIKeyInChI1.03 SDSVJYOOAPRSDA-RPCQODIISA-N

Drug Info: DrugBank

DrugBank IDDB04376 
Name13-Acetylphorbol
Groups experimental
Synonyms13-Acetylphorbol

Drug Targets

NameTarget SequencePharmacological ActionActions
Protein kinase C delta typeMAPFLRIAFNSYELGSLQAEDEANQPFCAVKMKEALSTERGKTLVQKKPT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 499953
ChEMBL CHEMBL1235429
ChEBI CHEBI:45127