3-Hydroxybenzyl isothiocyanate; Me ether
AlkaPlorer ID: AK117925
Synonym: 3-Methoxybenzyl isothiocyanate, 1-(Isothiocyanatomethyl)-3-methoxybenzene
IUPAC Name: 1-(isothiocyanatomethyl)-3-methoxybenzene
Structure
SMILES: COC1=CC=CC(CN=C=S)=C1
InChI: InChI=1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-10-7-12/h2-5H,6H2,1H3
InChIKey: SSSDJJXWAVRNCM-UHFFFAOYSA-N
Reference
Investigation of the Tuber Constituents of Maca (<i>Lepidium meyenii</i>Walp.)
PubChem CID: 126512
CAS: 75272-77-4
LOTUS: LTS0081421
SuperNatural Ⅲ: SN0354287
COCONUT: CNP0185799
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Limnanthes douglasii | Limnanthes | Limnanthaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lepidium meyenii | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 179.244
TPSA？: 21.59
MolLogP？: 2.298
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Globisporangium irregulare | Globisporangium irregulare | EC50 | 50.0 | ug.mL-1 | 10.1021/jf203913p |
| Globisporangium irregulare | Globisporangium irregulare | mortality | 0.0 | % | 10.1021/jf203913p |
| Globisporangium irregulare | Globisporangium irregulare | mortality | 54.0 | % | 10.1021/jf203913p |
| Globisporangium irregulare | Globisporangium irregulare | mortality | 56.0 | % | 10.1021/jf203913p |
| Globisporangium irregulare | Globisporangium irregulare | mortality | 63.0 | % | 10.1021/jf203913p |
| Globisporangium irregulare | Globisporangium irregulare | mortality | 88.0 | % | 10.1021/jf203913p |
| Meloidogyne hapla | Meloidogyne hapla | EC50 | 2.0 | ug.mL-1 | 10.1021/jf203913p |
| Meloidogyne hapla | Meloidogyne hapla | EC50 | 3.0 | ug.mL-1 | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | EC50 | 100.0 | ug.mL-1 | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | mortality | 0.0 | % | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | mortality | 7.0 | % | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | mortality | 19.0 | % | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | mortality | 50.0 | % | 10.1021/jf203913p |
| Verticillium dahliae | Verticillium dahliae | mortality | 69.0 | % | 10.1021/jf203913p |