KNApSAcK Metabolite C00002788
Metabolite
KNApSAcK Entry
| id | C00002788 |
|---|---|
| Name | Alkannin beta,beta-dimethylacrylate |
| CAS RN | 5162-01-6 |
| Standard InChI | InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 80 |
|---|---|
| KCF-S cluster | No. 2968 |
Link
ChEMBL
| By standard InChI | CHEMBL513640 |
|---|---|
| By standard InChI Main Layer | CHEMBL267024 CHEMBL513640 |
KEGG
| By LinkDB | C10293 |
|---|
CTD
| By CAS RN | C032573 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Boraginaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Arnebia nobilis | 373121 | Boraginaceae | 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) |
|---|---|---|---|---|---|
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL267024 |
CHEMBL663903
(1)
|
0 / 0 |