KNApSAcK Metabolite C00041402
Metabolite
KNApSAcK Entry
| id | C00041402 |
|---|---|
| Name | Bruguierin B / (+)-Bruguierin B |
| CAS RN | 880162-09-4 |
| Standard InChI | InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-42(50)52-41-30-32-45(6)40(44(41,4)5)29-34-47(8)43(45)39(49)35-38-37(28-33-46(38,47)7)48(9,51)31-25-26-36(2)3/h26,37-41,43,49,51H,10-25,27-35H2,1-9H3/t37-,38+,39+,40-,41-,43+,45-,46+,47+,48-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-42(50)52-41-30-32-45(6)40(44(41,4)5)29-34-47(8)43(45)39(49)35-38-37(28-33-46(38,47)7)48(9,51)31-25-26-36(2)3/h26,37-41,43,49,51H,10-25,27-35H2,1-9H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 923 |
Link
ChEMBL
| By standard InChI | CHEMBL447269 |
|---|---|
| By standard InChI Main Layer | CHEMBL447269 |
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 | CHEMBL447269 |
CHEMBL972983
(1)
|
0 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL447269 |
CHEMBL966737
(1)
|
0 / 0 |