KNApSAcK Metabolite C00041401
Metabolite
KNApSAcK Entry
| id | C00041401 |
|---|---|
| Name | Bruguierin A / (+)-Bruguierin A |
| CAS RN | 880162-08-3 |
| Standard InChI | InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(50)52-42-35-41(49)48(9)39(44(42,4)5)31-34-46(7)40(48)29-28-37-38(30-33-45(37,46)6)47(8,51)32-25-26-36(2)3/h26,37-42,49,51H,10-25,27-35H2,1-9H3/t37-,38+,39+,40+,41-,42+,45-,46-,47+,48+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-43(50)52-42-35-41(49)48(9)39(44(42,4)5)31-34-46(7)40(48)29-28-37-38(30-33-45(37,46)6)47(8,51)32-25-26-36(2)3/h26,37-42,49,51H,10-25,27-35H2,1-9H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 923 |
Link
ChEMBL
| By standard InChI | CHEMBL504631 |
|---|---|
| By standard InChI Main Layer | CHEMBL504631 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Rhizophoraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Bruguiera gymmorrhiza | 39983 | Rhizophoraceae | 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) |
|---|---|---|---|---|---|
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL504631 |
CHEMBL972983
(1)
|
0 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL504631 |
CHEMBL966737
(1)
|
0 / 0 |