SARMENTINE

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Synonyms
UNII 69ACA84TFV
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 ...

Structure

InChI Key BFZBGTMIBOQWBA-HRCSPUOPSA-N
Smiles CCCCC\C=C\C=C\C(=O)N1CCCC1
InChI
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H23NO
Molecular Weight 221.34
AlogP 3.43
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Phytotoxicity against Echinochloa crus-galli (barnyard grass) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Echinochloa crus-galli 80.0 %
Herbicidal activity against Oryza sativa (rice) (M-104) Oryza sativa L assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Oryza sativa None
Herbicidal activity against Triticum aestivum PR 1404 (wheat) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Triticum aestivum 80.0 %
Herbicidal activity against Zea mays L (maize) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Zea mays 80.0 %
Phytotoxicity against curly dock Rumex crispus assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Rumex crispus 80.0 %
Phytotoxicity against Solanum nigrum (black nightshade) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Solanum nigrum 80.0 %
Phytotoxicity against wild mustard Sinapis arvensis assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Sinapis arvensis 80.0 %
Phytotoxicity against annual bluegrass Poa annua assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Poa annua 80.0 %
Phytotoxicity against Chenopodium album assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Chenopodium album 80.0 %
Phytotoxicity against dandelion Taraxacum officinale (dandelion) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Taraxacum officinale 80.0 %
Phytotoxicity against Leptochloa fascicularis (sprangletop) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Leptochloa 80.0 %
Phytotoxicity against sedge Cyperus difformis assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Cyperus difformis 20.0 %
Phytotoxicity against Conyza canadensis (horseweed)assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Conyza canadensis 20.0 %
Phytotoxicity against Digitaria sanguinalis (hairy crabgrass) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Digitaria sanguinalis 80.0 %
Phytotoxicity against Convolvulus arvensis assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Convolvulus arvensis 80.0 %
Phytotoxicity against Echinochloa crus-galli (barnyard grass) assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Echinochloa crus-galli 80.0 %
Phytotoxicity against Amaranthus retroflexus assessed as mortality measured after 3 days at 5 mg/ml by foliar spraying Amaranthus retroflexus 80.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2205104
FDA SRS 69ACA84TFV
PubChem 6440616
SureChEMBL SCHEMBL988355
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