Brassitin; 1-Methoxy
AlkaPlorer ID: AK103109
Synonym: Methoxybrassitin
IUPAC Name: S-methyl N-[(1-methoxyindol-3-yl)methyl]carbamothioate
Structure
SMILES: CON1C=C(CN=C(O)SC)C2=CC=CC=C21
InChI: InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKey: BHXCFNZULGNWRA-UHFFFAOYSA-N
Reference
Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii
PubChem CID: 13993677
CAS: 113900-63-3
LOTUS: LTS0274008
SuperNatural Ⅲ: SN0025987
COCONUT: CNP0243103
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas cichorii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 250.323
TPSA？: 46.75
MolLogP？: 2.4767
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|