KNApSAcK Metabolite C00043393
Metabolite
KNApSAcK Entry
| id | C00043393 |
|---|---|
| Name | Chrysophanein |
| CAS RN | 4839-60-5 |
| Standard InChI | InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3 |
Cluster
| Phytochemical cluster | No. 62 |
|---|---|
| KCF-S cluster | No. 568 |
Link
ChEMBL
| By standard InChI | CHEMBL112709 |
|---|---|
| By standard InChI Main Layer | CHEMBL112709 CHEMBL1159599 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Fabaceae | 1 |
| Picramniaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cassia fistula | 53852 | Fabaceae | rosids | Viridiplantae |
| Picramnia latifolia | 681474 | 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 | CHEMBL1159599 |
CHEMBL708330
(1)
CHEMBL708331
(1)
CHEMBL708332 (1) |
0 / 1 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL1159599 |
CHEMBL708330
(1)
CHEMBL708331
(1)
CHEMBL708332 (1) |
1 / 1 |