KNApSAcK Metabolite C00044732
Metabolite
KNApSAcK Entry
| id | C00044732 |
|---|---|
| Name | Dulcinol / Scopadulciol |
| CAS RN | 136565-26-9 |
| Standard InChI | InChI=1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22-,24-,25-,26-,27-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 997 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL428332 CHEMBL508227 CHEMBL2009576 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C071755 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Plantaginaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Scoparia dulcis | 107240 | Plantaginaceae | asterids | Viridiplantae |