KNApSAcK Metabolite C00021013
Metabolite
KNApSAcK Entry
| id | C00021013 |
|---|---|
| Name | 5,10-bis-epi-Isoalantolactone |
| CAS RN | 74111-88-9 |
| Standard InChI | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12-,13-,15+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 69 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL273254 CHEMBL137803 CHEMBL1410671 CHEMBL1451900 CHEMBL2000732 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Stevia polyphylla | 55669 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
6 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1410671 |
CHEMBL1614110
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1410671 |
CHEMBL1614027
(1)
|
0 / 1 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL137803 |
CHEMBL1941568
(1)
CHEMBL1941569
(1)
|
1 / 1 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1410671 |
CHEMBL1613777
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1451900 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1451900 |
CHEMBL1614364
(1)
|
1 / 1 |