KNApSAcK Metabolite C00019065
Metabolite
KNApSAcK Entry
| id | C00019065 |
|---|---|
| Name | Erythrodiol / 3beta-Erythrodiol |
| CAS RN | 545-48-2 |
| Standard InChI | InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21?,22?,23?,24-,27-,28+,29+,30+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL298604 CHEMBL60687 CHEMBL400074 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C077953 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Fabaceae | 4 |
| Asteraceae | 2 |
| Rosaceae | 1 |
| Lamiaceae | 1 |
| Dipterocarpaceae | 1 |
| Euphorbiaceae | 1 |
| Putranjivaceae | 1 |
| Celastraceae | 1 |
| Oleaceae | 1 |
| Pentaphylacaceae | 1 |
List (16)
* NCBI
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P18031 | Tyrosine-protein phosphatase non-receptor type 1 | Tyr | CHEMBL400074 |
CHEMBL963010
(1)
CHEMBL1106811
(1)
|
0 / 0 |
| O60218 | Aldo-keto reductase family 1 member B10 | Enzyme | CHEMBL400074 |
CHEMBL2168780
(1)
|
0 / 0 |
| P15121 | Aldose reductase | Enzyme | CHEMBL400074 |
CHEMBL2168781
(1)
|
0 / 0 |
| P17706 | Tyrosine-protein phosphatase non-receptor type 2 | Tyr | CHEMBL400074 |
CHEMBL963011
(1)
|
0 / 1 |