INDOLE-3-ACETIC ACID

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Search structure


Synonyms	Indole-3-Acetic Acid
UNII	6U1S09C61L
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SEOVTRFCIGRIMH-UHFFFAOYSA-N
Smiles	OC(=O)Cc1c[nH]c2ccccc12
InChI	InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H9NO2
Molecular Weight	175.18
AlogP	1.79
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	53.09
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	13.0

Assay Description	Organism	Bioactivity	Reference
Fungicidal activity against Fusarium culmorum assessed as inhibition of hyphal growth by radial growth test	Fusarium culmorum	420.0 ug.mL-1
Fungicidal activity against Pythium debaryanum assessed as inhibition of hyphal growth by radial growth test	Pythium debaryanum	301.0 ug.mL-1
Fungicidal activity against Rhizoctonia solani assessed as inhibition of hyphal growth by radial growth test	Rhizoctonia solani	1009.0 ug.mL-1
Fungicidal activity against Macrophomina phaseoli assessed as inhibition of hyphal growth by radial growth test	Macrophomina phaseolina	807.0 ug.mL-1
Induction of root growth in swingtime Fuchsia hybrida at 10'-7 M after 7 to 34 days relative to indole-3-butyric acid	Fuchsia	0.0
Induction of root growth in varigated Fuchsia hybrida at 10'-7 M after 7 to 34 days relative to indole-3-butyric acid	Fuchsia	0.0
Fungicidal activity against Laetisaria fuciformis assessed as inhibition of fungal growth at 10 to 1000 mg/L	Laetisaria fuciformis	None
Fungicidal activity against Magnaporthe poae assessed as inhibition of fungal growth at 10 to 1000 mg/L	Magnaporthe poae	None
Fungicidal activity against Rhizoctonia solani assessed as inhibition of fungal growth at 10 to 1000 mg/L	Rhizoctonia solani	None
Fungicidal activity against Cryphonectria parasitica assessed as inhibition of fungal growth at 12.5 ug after 7 days	Cryphonectria parasitica	12.0 mm
Fungicidal activity against Cryphonectria parasitica assessed as inhibition of fungal growth at 25 ug after 7 days	Cryphonectria parasitica	14.0 mm
Fungicidal activity against Cryphonectria parasitica assessed as inhibition of fungal growth at 50 ug after 7 days	Cryphonectria parasitica	16.0 mm
Fungicidal activity against Cryphonectria parasitica assessed as inhibition of fungal growth at 100 ug after 7 days	Cryphonectria parasitica	21.0 mm
Root formation-promoting activity in Vigna mungo (black gram) cuttings at 1 x 10'-4 M relative to IBA (Rvb = 35 +/- 8%)	Vigna mungo	36.0 %
Enhancement of lateral root formation in intact Vigna mungo (black gram) seedlings at 1 x 10'-4 M	Vigna mungo	None
Enhancement of hypocotyl swelling in intact Vigna mungo (black gram) seedlings at 1 x 10'-4 M	Vigna mungo	None
Auxin activity in Avena sativa cv. Victory-1 assessed as increase of auxin-induced growth at 5.6 x 10'-5 M	Avena sativa	None
Antiauxin activity in Avena sativa cv. Victory-1 assessed as auxin-induced growth inhibition at 3 x 10'-5 M	Avena sativa	None
Auxin activity in Avena sativa cv. Victory-1 assessed as coleoptile elongation	Avena sativa	None

Cross References

Resources	Reference
ChEMBL	CHEMBL82411
FDA SRS	6U1S09C61L
PDB	IAC
SureChEMBL	SCHEMBL26344

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).