KNApSAcK Metabolite C00003731
Metabolite
KNApSAcK Entry
| id | C00003731 |
|---|---|
| Name | Simalikilactone D |
| CAS RN | 35321-80-3 |
| Standard InChI | InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 704 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL480882 CHEMBL1979639 |
KEGG
| By LinkDB | C08783 |
|---|
CTD
| By CAS RN | C024970 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Quassia africana | 459167 | Simaroubaceae | rosids | Viridiplantae |
| Quassia amara | 43725 | Simaroubaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P20701 | Integrin alpha-L | Membrane receptor | CHEMBL480882 |
CHEMBL1016754
(1)
CHEMBL1016757
(1)
|
0 / 0 |