KNApSAcK Metabolite C00022416
Metabolite
KNApSAcK Entry
| id | C00022416 |
|---|---|
| Name | Neoandrographolide |
| CAS RN | 27215-14-1 |
| Standard InChI | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18?,19-,20-,21+,22?,24-,25+,26+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 454 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL480853 CHEMBL1316546 CHEMBL1951640 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C082497 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Acanthaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Andrographis paniculata | 175694 | Acanthaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1316546 |
CHEMBL1794401
(1)
|
0 / 0 |