KNApSAcK Metabolite C00042922
Metabolite
KNApSAcK Entry
| id | C00042922 |
|---|---|
| Name | Rosacea acid B |
| CAS RN | 156979-67-8 |
| Standard InChI | InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-15-16-30(7)24-13-11-22-23(12-14-25(31)27(22,3)4)28(24,5)17-18-29(21,30)6/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,23-,24-,25-,28+,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-15-16-30(7)24-13-11-22-23(12-14-25(31)27(22,3)4)28(24,5)17-18-29(21,30)6/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33) |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 119 |
Link
ChEMBL
| By standard InChI | CHEMBL487001 |
|---|---|
| By standard InChI Main Layer | CHEMBL487001 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Betulaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Alnus acuminata | 109057 | Betulaceae | 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) |
|---|---|---|---|---|---|
| Q13133 | Oxysterols receptor LXR-alpha | NR1H3 | CHEMBL487001 |
CHEMBL1007705
(1)
CHEMBL1007709
(1)
CHEMBL1008515 (1) |
0 / 0 |
| P55055 | Oxysterols receptor LXR-beta | NR1H3 | CHEMBL487001 |
CHEMBL1007707
(1)
CHEMBL1007710
(1)
CHEMBL1008519 (1) |
0 / 0 |