Caulilexin C
PubChem CID: 11954881
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| Compound Synonyms | Caulilexin C, 30536-48-2, 1H-Indole-3-acetonitrile, 1-methoxy-, 2-(1-methoxyindol-3-yl)acetonitrile, Caulilexine C, 1-Methoxy-1H-indole-3-acetonitrile, 1-METHOXYINDOLEACETONITRILE, NBP9TAS7GE, 2-(1-Methoxyindol-3-yl)ethanenitrile, 2-(1-methoxy-1H-indol-3-yl)acetonitrile, DTXSID00474661, 1-Methoxy-1H-indole-3-acetonitrile, 9CI, CaulilexinC, UNII-NBP9TAS7GE, 1-methoxyindole-3-acetonitrile, SCHEMBL5144472, CHEMBL2063296, DTXCID40425475, CHEBI:172430, HY-N3556, AKOS022642185, DA-62093, MS-23008, CS-0023836, G14293 |
|---|---|
| Topological Polar Surface Area | 38.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Description | Stress metabolite from the Japanese radish Daikon (Raphanus sativus variety hortensis) inoculated with Pseudomonas cichorii and from clubroots of Chinese cabbage (Brassica pekinensis) infected with Plasmodiophora brassicae. 1-Methoxy-1H-indole-3-acetonitrile is found in chinese cabbage and brassicas. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)acetonitrile |
| Nih Violation | False |
| Class | Indoles and derivatives |
| Xlogp | 2.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Indoles |
| Molecular Formula | C11H10N2O |
| Inchi Key | LIJIPBYXIXTNLE-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-Methoxy-1H-indole-3-acetonitrile, 9CI, 1-Methoxyindoleacetonitrile |
| Substituent Name | Indole, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Nitrile, Carbonitrile, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aromatic heteropolycyclic compound |
| Compound Name | Caulilexin C |
| Kingdom | Organic compounds |
| Exact Mass | 186.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 186.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3 |
| Smiles | CON1C=C(C2=CC=CC=C21)CC#N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Source_db:fooddb_chem_all