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Metolachor

AlkaPlorer ID: AK320018

Synonym: None

IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

Structure

SMILES: CCC1=CC=CC(C)=C1N(C(=O)CCl)C(C)COC

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InChI: InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3

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InChIKey: WVQBLGZPHOPPFO-UHFFFAOYSA-N

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Reference

PubChem CID: 117065456

CAS: 178961-20-1

SuperNatural Ⅲ: SN0421226-02

NPASS: NPC316582

COCONUT: CNP0238339.2

Source

Species Genus Family Order Class Phylum Kingdom Domain
Oryza sativa Oryza Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 283.799

TPSA？: 29.540000000000003

MolLogP？: 3.1641200000000014

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Amaranthus blitum subsp. oleraceus Amaranthus blitum subsp. oleraceus Activity 80.0 % 10.1271/bbb1961.55.2737
Amaranthus blitum subsp. oleraceus Amaranthus blitum subsp. oleraceus Activity 100.0 % 10.1271/bbb1961.55.2737
Amaranthus retroflexus Amaranthus retroflexus GI 66.4 % 10.1002/ps.3339
Amaranthus retroflexus Amaranthus retroflexus GI 100.0 % 10.1002/ps.3339
Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera GI 88.3 % 10.1002/ps.3339
Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera GI 100.0 % 10.1002/ps.3339
Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera Inhibition 0.0 % 10.1021/jf9042166
Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera Inhibition 9.0 % 10.1021/jf9042166
Brassica rapa subsp. oleifera Brassica rapa subsp. oleifera Inhibition 11.0 % 10.1021/jf9042166
Convolvulus arvensis Convolvulus arvensis Inhibition 47.0 % 10.1021/jf9042166
Digitaria ciliaris Digitaria ciliaris Activity 100.0 % 10.1271/bbb1961.55.2737
Digitaria sanguinalis Digitaria sanguinalis GI 46.3 % 10.1002/ps.3339
Digitaria sanguinalis Digitaria sanguinalis GI 88.0 % 10.1021/jf9042166
Digitaria sanguinalis Digitaria sanguinalis GI 92.0 % 10.1021/jf9042166
Digitaria sanguinalis Digitaria sanguinalis GI 100.0 % 10.1002/ps.3339
Digitaria sanguinalis Digitaria sanguinalis Inhibition 43.0 % 10.1021/jf9042166
Digitaria sanguinalis Digitaria sanguinalis Inhibition 76.0 % 10.1021/jf9042166
Digitaria sanguinalis Digitaria sanguinalis Inhibition 90.0 % 10.1021/jf9042166
Digitaria sanguinalis Digitaria sanguinalis Inhibition 95.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli GI 54.0 % 10.1002/ps.3339
Echinochloa crus-galli Echinochloa crus-galli GI 80.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli GI 88.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli GI 100.0 % 10.1002/ps.3339
Echinochloa crus-galli Echinochloa crus-galli Inhibition 25.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli Inhibition 39.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli Inhibition 50.0 % 10.1021/jf9042166
Echinochloa crus-galli Echinochloa crus-galli Inhibition 100.0 % 10.1021/jf9042166
Eleusine indica Eleusine indica Inhibition 84.0 % 10.1021/jf9042166
Eleusine indica Eleusine indica Inhibition 97.0 % 10.1021/jf9042166
Eleusine indica Eleusine indica Inhibition 98.0 % 10.1021/jf9042166
Eleusine indica Eleusine indica Inhibition 99.0 % 10.1021/jf9042166
Homo sapiens Androgen Receptor Potency 19952.6 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 24336.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 38570.8 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 39810.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 39810.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 44668.4 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 93.33 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 101.68 % 10.1124/mol.112.084152
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Kummerowia striata Kummerowia striata Activity 80.0 % 10.1271/bbb1961.55.2737
Kummerowia striata Kummerowia striata Activity 100.0 % 10.1271/bbb1961.55.2737
Poa annua Poa annua Activity 80.0 % 10.1271/bbb1961.55.2737
Poa annua Poa annua Activity 100.0 % 10.1271/bbb1961.55.2737
Portulaca oleracea Portulaca oleracea GI 62.0 % 10.1021/jf9042166
Portulaca oleracea Portulaca oleracea GI 74.0 % 10.1021/jf9042166
Portulaca oleracea Portulaca oleracea Inhibition 36.0 % 10.1021/jf9042166
Portulaca oleracea Portulaca oleracea Inhibition 57.0 % 10.1021/jf9042166
Portulaca oleracea Portulaca oleracea Inhibition 60.0 % 10.1021/jf9042166
Portulaca oleracea Portulaca oleracea Inhibition 100.0 % 10.1021/jf9042166
Secale cereale Triosephosphate isomerase, chloroplastic Activity 9.57 nmol/sec 10.1021/jf901681q
Setaria viridis Setaria viridis Activity 80.0 % 10.1271/bbb1961.55.2737
Setaria viridis Setaria viridis Activity 100.0 % 10.1271/bbb1961.55.2737
Stellaria media Stellaria media Activity 60.0 % 10.1271/bbb1961.55.2737
Zea mays Zea mays Activity 0.0 % 10.1021/jf9042166
Zea mays Zea mays Inhibition 1.0 % 10.1021/jf9042166
Zea mays Zea mays Inhibition 2.0 % 10.1021/jf9042166
None Molecular identity unknown Potency 562.3 nM None
None Unchecked IC50 39810717.06 nM 10.1021/jf990395+

Metabolism Information