E4H

(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE

Created:	2006-06-29
Last modified:	2011-06-04

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2 entries where E4H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	6
Bond Count	49
Aromatic Bond Count	0

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Chemical Component Summary
Name	(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
Systematic Name (OpenEye OEToolkits)	(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Formula	C₁₇ H₂₈ O₄
Molecular Weight	296.402
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1OC(C(C=CC(=O)C(CC(C)C(O)C1C)C)C)CC
SMILES	CACTVS	3.341	CC[CH]1OC(=O)[CH](C)[CH](O)[CH](C)C[CH](C)C(=O)C=C[CH]1C
SMILES	OpenEye OEToolkits	1.5.0	CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)O)C)C)C
Canonical SMILES	CACTVS	3.341	CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C
InChI	InChI	1.03	InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
InChIKey	InChI	1.03	NZUJVBSYQXETNF-PQWITYJESA-N

Drug Info: DrugBank

DrugBank ID	DB07703
Name	(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
Groups	experimental
Synonyms	(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Type I polyketide synthase PikAIV	MTSSNEQLVDALRASLKENEELRKESRRRADRRQEPMAIVGMSCRFAGGI...	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