2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00075 |
| Mol. Weight | 117.151 g/mol |
| LogP | 2.07 |
| Water solubility | 3560 mg/L at 25 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 0 |
| Rotatable Bonds | 0 |
| XLogP3 | 2.1 |
| Identifiers | |
|---|---|
| Formula | C8H7N |
| PubChem CID | 798 |
| FEMA | 2593 |
| Flavor Profile | Unpleasant Odor In High Concentration But Pleasant In Dilute Solution, Light Jasmine Odor; Burnt, Mothball |
| Smiles | c1ccc2[nH]ccc2c1 |
| InChl Key | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| CAS Registry Number | 120-72-9 |
| IUPAC Systematic Name | 1H-indole |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| Medicinal Indianmulberry | Ba Ji Tian(巴戟天) | Morindae Officinalis Radix | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Odoriferous Rosewood | Jiang Xiang (降香) | Dalbergiae odoriferae Lignum | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Bugbane Equivalent plant: Cimicifuga dahurica, Ci | Sheng Ma(升麻) | Cimicifugae Rhizoma | Cold, Sweet, Pungent | Lung, Spleen, Large Intestine, Stomach | View Graph |
Indole is an aromatic heterocyclic organic compound with formula C8H7N. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered pyrrole ring. As an intercellular signal molecule, indole regulates various aspects of bacterial physiology, including spore formation, plasmid stability, resistance to drugs, biofilm formation, and virulence.
Indole, as a signal molecule, is involved in multiple physiological behavior including bioflm formation,antibiotic resistance and virulence.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1. https://en.m.wikipedia.org/wiki/Indole
2. Kim, D. H., Lee, J. H., Bae, E. A., Han, M. J. Induction and inhibition of indole production of intestinal bacteria[J]. Archives of Pharmacal Research, 1995, 18(5): 351-355.
3. Lee, J. H. & Lee, J. Indole as an intercellular signal in microbial communities. FEMS Microbiol. Rev. 34, 426C444 (2010)
4. Wood T K. Insights on Escherichia coli biofilm formation and inhibition from whole\transcriptome profiling[J]. Environmental microbiology, 2009, 11(1): 1-15.
5. Sebek O K, J?ger H. Divergent pathways of indole metabolism in Chromobacterium violaceum[J]. Nature, 1962, 196(4856): 793.
6. Wang, Y., Li, H., Cui, X., Zhang, X. H. A novel stress response mechanism, triggered by indole, involved in quorum quenching enzyme MomL and iron-sulfur cluster in Muricauda olearia Th120[J]. Scientific reports, 2017, 7(1): 4252.
7. Lee J, Jayaraman A, Wood T K. Indole is an inter-species biofilm signal mediated by SdiA[J]. BMC microbiology, 2007, 7(1): 42.
8. Di Martino, P., Fursy, R., Bret, L., Sundararaju, B., Phillips, R. S. Indole can act as an extracellular signal to regulate biofilm formation of Escherichia coli and other indole-producing bacteria[J]. Canadian journal of microbiology, 2003, 49(7): 443-449.
9. Lee J H, Lee J. Indole as an intercellular signal in microbial communities[J]. FEMS microbiology reviews, 2010, 34(4): 426-444.
10. Pandya, B. A., Baber, C., Chan, A., Chamberlain, B., Chandonnet, H., Goss, J., Stucka, S. Discovery of indole inhibitors of chemokine receptor 9 (CCR9)[J]. Bioorganic & medicinal chemistry letters, 2016, 26(14): 3322-3325.
11. Ple?ec, K. K., Urban?i?, D., Gobec, M., Peko?ak, A., Toma?i?, T., Anderluh, M., Jakopin, ?. Identification of indole scaffold-based dual inhibitors of NOD1 and NOD2[J]. Bioorganic & medicinal chemistry, 2016, 24(21): 5221-5234.
12. Ma, Q., Qu, Y., Zhang, X., Liu, Z., Li, H., Zhang, Z., Zhou, J. Systematic investigation and microbial community profile of indole degradation processes in two aerobic activated sludge systems[J]. Scientific reports, 2015, 5: 17674.