KNApSAcK Metabolite C00041403
Metabolite
KNApSAcK Entry
| id | C00041403 |
|---|---|
| Name | Bruguierin C / (+)-Bruguierin C |
| CAS RN | 880162-10-7 |
| Standard InChI | InChI=1S/C48H86O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-42(50)53-41-35-40(49)48(9)38(44(41,4)5)30-34-46(7)39(48)28-27-36-37(29-33-45(36,46)6)47(8,51)32-25-31-43(2,3)54-52/h25,31,36-41,49,51-52H,10-24,26-30,32-35H2,1-9H3/b31-25+/t36-,37+,38+,39+,40-,41+,45-,46-,47+,48+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C48H86O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-42(50)53-41-35-40(49)48(9)38(44(41,4)5)30-34-46(7)39(48)28-27-36-37(29-33-45(36,46)6)47(8,51)32-25-31-43(2,3)54-52/h25,31,36-41,49,51-52H,10-24,26-30,32-35H2,1-9H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 923 |
Link
ChEMBL
| By standard InChI | CHEMBL503931 |
|---|---|
| By standard InChI Main Layer | CHEMBL503931 |
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 | CHEMBL503931 |
CHEMBL972983
(1)
|
0 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL503931 |
CHEMBL966737
(1)
|
0 / 0 |