5PP

5-PENTYL-2-PHENOXYPHENOL

Created:	2005-10-05
Last modified:	2011-06-04

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2 entries where 5PP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

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Chemical Component Summary
Name	5-PENTYL-2-PHENOXYPHENOL
Systematic Name (OpenEye OEToolkits)	5-pentyl-2-phenoxy-phenol
Formula	C₁₇ H₂₀ O₂
Molecular Weight	256.339
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccccc1)c2ccc(cc2O)CCCCC
SMILES	CACTVS	3.341	CCCCCc1ccc(Oc2ccccc2)c(O)c1
SMILES	OpenEye OEToolkits	1.5.0	CCCCCc1ccc(c(c1)O)Oc2ccccc2
Canonical SMILES	CACTVS	3.341	CCCCCc1ccc(Oc2ccccc2)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCc1ccc(c(c1)O)Oc2ccccc2
InChI	InChI	1.03	InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKey	InChI	1.03	OJLYTHOKCYLPMA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07178
Name	5-PENTYL-2-PHENOXYPHENOL
Groups	experimental
Synonyms	5-PENTYL-2-PHENOXYPHENOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Enoyl-[acyl-carrier-protein] reductase [NADH]	MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...	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