Methyl indole-3-acetate
AlkaPlorer ID: AK016466
Synonym: 'Methyl indole-3-acetate', 'IAA methyl ester', 'Indole-3-acetic acid methyl ester'
IUPAC Name: methyl 2-(1H-indol-3-yl)acetate
Structure
SMILES: COC(=O)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
InChIKey: KTHADMDGDNYQRX-UHFFFAOYSA-N
Reference
Plant Growth Substances in the Young Fruit of<i>Citrus unshiu</i>
PubChem CID: 74706
CAS: 1912-33-0
LOTUS: LTS0042788
COCONUT: CNP0242770
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prunus cerasus | Prunus | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 189.21400000000003
TPSA？: 42.09
MolLogP？: 1.8834
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HaCaT | Activity | nan | None | 10.1021/acs.jnatprod.1c01102 |
| Homo sapiens | LXR-beta | Activity | 28.0 | % | 10.1016/j.ejmech.2019.06.011 |
| Homo sapiens | LXR-beta | Ki | nan | None | 10.1016/j.ejmech.2019.06.011 |