KNApSAcK Metabolite C00025175
Metabolite
KNApSAcK Entry
| id | C00025175 |
|---|---|
| Name | Hirsutine / Hirsutine(Mitragyna) |
| CAS RN | 7729-23-9 |
| Standard InChI | InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 246 |
Link
ChEMBL
| By standard InChI | CHEMBL327134 |
|---|---|
| By standard InChI Main Layer | CHEMBL60533 CHEMBL327134 CHEMBL1668781 CHEMBL1668783 |
KEGG
| By LinkDB | C16972 |
|---|
CTD
| By CAS RN | C038369 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Rubiaceae | 2 |
| Menispermaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cocculus hirsutus (L.)Diels | 421226 | Menispermaceae | eudicotyledons | Viridiplantae |
| Mitragyna hirsuta Havil | 170021 | Rubiaceae | asterids | Viridiplantae |
| Uncaria rhynchophylla Miq. | 43575 | Rubiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P41143 | Delta-type opioid receptor | Opioid receptor | CHEMBL60533 |
CHEMBL756037
(1)
CHEMBL857861
(1)
|
0 / 0 |
| P06276 | Cholinesterase | Hydrolase | CHEMBL327134 |
CHEMBL2166019
(1)
|
0 / 0 |