KNApSAcK Metabolite C00019490
Metabolite
KNApSAcK Entry
| id | C00019490 |
|---|---|
| Name | Tormentic acid / 2alpha,3beta,19alpha-Trihydroxyurs-12-en-28-oic acid |
| CAS RN | 13850-16-3 |
| Standard InChI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34) |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | CHEMBL239077 |
|---|---|
| By standard InChI Main Layer | CHEMBL223484 CHEMBL239077 CHEMBL1270647 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 5 |
| asterids | 2 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Rosaceae | 4 |
| Polygonaceae | 1 |
| Lamiaceae | 1 |
| Urticaceae | 1 |
| Oleaceae | 1 |
List (8)
* NCBI
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 | CHEMBL239077 |
CHEMBL1072762
(1)
|
1 / 1 |
| P80365 | Corticosteroid 11-beta-dehydrogenase isozyme 2 | Enzyme | CHEMBL239077 |
CHEMBL1072765
(1)
|
1 / 1 |