KNApSAcK Metabolite C00012088
Metabolite
KNApSAcK Entry
| id | C00012088 |
|---|---|
| Name | Isocentratherin |
| CAS RN | 80377-52-2 |
| Standard InChI | InChI=1S/C20H22O7/c1-6-9(2)18(23)25-13-8-20(5)14(21)7-12(27-20)10(3)16(22)17-15(13)11(4)19(24)26-17/h6-7,13,15-17,22H,3-4,8H2,1-2,5H3/b9-6-/t13-,15+,16+,17-,20+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H22O7/c1-6-9(2)18(23)25-13-8-20(5)14(21)7-12(27-20)10(3)16(22)17-15(13)11(4)19(24)26-17/h6-7,13,15-17,22H,3-4,8H2,1-2,5H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 366 |
Link
ChEMBL
| By standard InChI | CHEMBL2205110 |
|---|---|
| By standard InChI Main Layer | CHEMBL206238 CHEMBL2205110 CHEMBL2205112 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Centratherum punctatum | 434637 | Asteraceae | 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) |
|---|---|---|---|---|---|
| Q04206 | Transcription factor p65 | Transcription Factor | CHEMBL206238 |
CHEMBL861583
(1)
|
0 / 0 |