KNApSAcK Metabolite C00002797
Metabolite
KNApSAcK Entry
| id | C00002797 |
|---|---|
| Name | Aloin / Aloin A / Barbaloin |
| CAS RN | 1415-73-2 |
| Standard InChI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13?,14-,17-,19+,20?,21+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2 |
Cluster
| Phytochemical cluster | No. 61 |
|---|---|
| KCF-S cluster | No. 826 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL123026 CHEMBL497001 CHEMBL1569106 |
KEGG
| By LinkDB | C10305 |
|---|
CTD
| By CAS RN | C045601 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Liliopsida | 4 |
Family
| family name | count |
|---|---|
| Xanthorrhoeaceae | 4 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aloe castanea | 1128781 | Xanthorrhoeaceae | Liliopsida | Viridiplantae |
| Aloe ferox | 117798 | Xanthorrhoeaceae | Liliopsida | Viridiplantae |
| Aloe perryi | 117810 | Xanthorrhoeaceae | Liliopsida | Viridiplantae |
| Aloe vera | 34199 | Xanthorrhoeaceae | Liliopsida | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL1569106 |
CHEMBL2114784
(1)
|
1 / 1 |
| Q9H244 | P2Y purinoceptor 12 | Purine receptor | CHEMBL497001 |
CHEMBL995340
(1)
CHEMBL995341
(1)
|
1 / 1 |