KNApSAcK Metabolite C00003720
Metabolite
KNApSAcK Entry
| id | C00003720 |
|---|---|
| Name | Neoquassin |
| CAS RN | 76-77-7 |
| Standard InChI | InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 2894 |
Link
ChEMBL
| By standard InChI | CHEMBL517757 |
|---|---|
| By standard InChI Main Layer | CHEMBL517757 |
KEGG
| By LinkDB | C08771 |
|---|
CTD
| By CAS RN |
|---|
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 |
|---|---|---|---|---|
| Picrasma spp. | 210333 | Simaroubaceae | rosids | Viridiplantae |
| Quassia amara | 43725 | Simaroubaceae | rosids | Viridiplantae |