KNApSAcK Metabolite C00002823
Metabolite
KNApSAcK Entry
| id | C00002823 |
|---|---|
| Name | Emodin 1-beta-D-glucopyranoside / 1-O-beta-D-glucopyranosyl emodin |
| CAS RN | 38840-23-2 |
| Standard InChI | InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13?,17-,19+,20?,21-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3 |
Cluster
| Phytochemical cluster | No. 62 |
|---|---|
| KCF-S cluster | No. 568 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL464360 |
KEGG
| By LinkDB | C10345 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Picramniaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Picramnia teapensis Tul. | 85238 | Picramniaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q92731 | Estrogen receptor beta | NR3A2 | CHEMBL464360 |
CHEMBL677051
(1)
CHEMBL677223
(1)
CHEMBL708330 (1) CHEMBL708331 (1) CHEMBL708332 (1) |
0 / 1 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL464360 |
CHEMBL679893
(1)
CHEMBL682303
(1)
CHEMBL708330 (1) CHEMBL708331 (1) CHEMBL708332 (1) |
1 / 1 |