KNApSAcK Metabolite C00041062
Metabolite
KNApSAcK Entry
| id | C00041062 |
|---|---|
| Name | Methyl tormentate |
| CAS RN | 13850-15-2 |
| Standard InChI | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24+,27+,28-,29-,30-,31+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | CHEMBL600614 |
|---|---|
| By standard InChI Main Layer | CHEMBL600614 CHEMBL2089024 CHEMBL2089025 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Urticaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Musanga cecropioides | 1317686 | Urticaceae | rosids | Viridiplantae |
| Myrianthus serratus | 1220083 | Urticaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P28845 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Enzyme | CHEMBL600614 |
CHEMBL1072762
(1)
CHEMBL1065224
(1)
|
1 / 1 |
| P80365 | Corticosteroid 11-beta-dehydrogenase isozyme 2 | Enzyme | CHEMBL600614 |
CHEMBL1072765
(1)
|
1 / 1 |