KNApSAcK Metabolite C00043150
Metabolite
KNApSAcK Entry
| id | C00043150 |
|---|---|
| Name | 12-O-Deacetyl-19-deoxyscalarin / 12-Deacetyl-12-epi-19-deoxyscalarin / 25-Dehydroxy-12-epi-deacetylscalarin |
| CAS RN | 40772-12-1 |
| Standard InChI | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 140 |
Link
ChEMBL
| By standard InChI | CHEMBL250263 |
|---|---|
| By standard InChI Main Layer | CHEMBL250263 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Thorectidae | 2 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brachiaster sp. | ||||
| Hyrtios erecta | 279628 | Thorectidae | Metazoa | |
| Hyrtios erectus | 279628 | Thorectidae | Metazoa |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL250263 |
CHEMBL943880
(1)
CHEMBL943882
(1)
|
0 / 0 |