KNApSAcK Metabolite C00030824
Metabolite
KNApSAcK Entry
| id | C00030824 |
|---|---|
| Name | Nirtetralin / (+)-Nirtetralin |
| CAS RN | 50656-78-5 |
| Standard InChI | InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1105 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL453822 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C475933 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Phyllanthaceae | 2 |
| Plantaginaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Phyllanthus niruri | 296034 | Phyllanthaceae | rosids | Viridiplantae |
| Phyllanthus urinaria L. | 296035 | Phyllanthaceae | rosids | Viridiplantae |
| Scoparia dulcis L. | 107240 | Plantaginaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P24530 | Endothelin B receptor | Endothelin receptor | CHEMBL453822 |
CHEMBL937908
(1)
|
4 / 4 |
| P25101 | Endothelin-1 receptor | Endothelin receptor | CHEMBL453822 |
CHEMBL937907
(1)
|
0 / 0 |