KNApSAcK Metabolite C00021389
Metabolite
KNApSAcK Entry
| id | C00021389 |
|---|---|
| Name | Ferutinin / Jaeschkeanadiol p-hydroxybenzoate |
| CAS RN | 41743-44-6 |
| Standard InChI | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 327 |
Link
ChEMBL
| By standard InChI | CHEMBL465040 |
|---|---|
| By standard InChI Main Layer | CHEMBL465040 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C111068 |
|---|
Species
Summary
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ferula elaeochytris | 662809 | Apiaceae | asterids | Viridiplantae |
| Ferula hermonis | 662815 | Apiaceae | asterids | Viridiplantae |
| Ferula kuhistanica | 52470 | Apiaceae | asterids | Viridiplantae |
| Ferula lancerottensis | 52470 | Apiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q92731 | Estrogen receptor beta | NR3A2 | CHEMBL465040 |
CHEMBL1004752
(1)
|
0 / 1 |
| O76074 | cGMP-specific 3',5'-cyclic phosphodiesterase | PDE_5A | CHEMBL465040 |
CHEMBL998833
(1)
|
0 / 0 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL465040 |
CHEMBL1004750
(1)
CHEMBL1004751
(1)
|
1 / 1 |