IOP

INDOLYLPROPIONIC ACID

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

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10 entries where IOP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

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Chemical Component Summary
Name	INDOLYLPROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	3-(1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ N O₂
Molecular Weight	189.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCc2c1ccccc1nc2
SMILES	CACTVS	3.341	OC(=O)CCc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CCC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CCc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKey	InChI	1.03	GOLXRNDWAUTYKT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02758
Name	Indolepropionic acid
Groups	experimental
Synonyms	3-indolepropionic acid Indole-3-propionic acid Indolylpropionic acid 3-(3-Indolyl)propionic acid 1H-Indole-3-propionic acid 3-(Indol-3-yl)propionic acid beta-Indolylpropionate 3-(3-Indole)propionic acid Indolepropionic acid 3-(3-Indolyl)propanoic acid
Categories	Acids, Acyclic Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Lipids
CAS number	830-96-6

Drug Targets

Name	Target Sequence	Pharmacological Action
Group IIE secretory phospholipase A2	MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...	unknown
Aspartate aminotransferase	MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...	unknown
Aromatic-amino-acid aminotransferase	MLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...	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