KNApSAcK Metabolite C00002709
Metabolite
KNApSAcK Entry
| id | C00002709 |
|---|---|
| Name | Tricyclodehydroisohumulone |
| CAS RN | 56143-68-1 |
| Standard InChI | InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,25-26H,3,7-9H2,1-2,4-6H3/t12-,14-,20+,21+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,25-26H,3,7-9H2,1-2,4-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1473 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB | C10723 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Cannabaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Humulus lupulus | 3486 | Cannabaceae | rosids | Viridiplantae |