KNApSAcK Metabolite C00012887
Metabolite
KNApSAcK Entry
| id | C00012887 |
|---|---|
| Name | Asterolide / Atractylenolide II / [4aS-(4aalpha,8abeta,9abeta)]-4a,5,6,7,8,8a,9,9a-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one |
| CAS RN | 73069-14-4 |
| 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/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/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/h12-13H,1,4-8H2,2-3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 178 |
Link
ChEMBL
| By standard InChI | CHEMBL485805 |
|---|---|
| By standard InChI Main Layer | CHEMBL485805 |
KEGG
| By LinkDB | C17886 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Asteraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aster japonica | 41479 | Asteraceae | asterids | Viridiplantae |
| Aster umbellatus | 72927 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P09917 | Arachidonate 5-lipoxygenase | Oxidoreductase | CHEMBL485805 |
CHEMBL1023322
(1)
|
0 / 0 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL485805 |
CHEMBL1023323
(1)
|
0 / 0 |
| P06401 | Progesterone receptor | NR3C3 | CHEMBL485805 |
CHEMBL2214037
(1)
|
0 / 1 |
| Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL485805 |
CHEMBL2213583
(1)
CHEMBL2213584
(1)
CHEMBL2213586 (1) CHEMBL2214030 (1) CHEMBL2214031 (1) CHEMBL2214032 (1) CHEMBL2214036 (1) |
0 / 0 |