KNApSAcK Metabolite C00039473
Metabolite
KNApSAcK Entry
| id | C00039473 |
|---|---|
| Name | Itoside N / (+)-Itoside N |
| CAS RN | 1016275-83-4 |
| Standard InChI | InChI=1S/C39H32O14/c40-20-7-1-17(2-8-20)26-15-25(44)31-24(43)13-23(14-27(31)51-26)50-39-35(46)34(45)36-28(52-39)16-49-37(47)32-29(18-3-9-21(41)10-4-18)30(33(32)38(48)53-36)19-5-11-22(42)12-6-19/h1-15,28-30,32-36,39-43,45-46H,16H2/t28-,29-,30+,32+,33-,34-,35-,36-,39-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C39H32O14/c40-20-7-1-17(2-8-20)26-15-25(44)31-24(43)13-23(14-27(31)51-26)50-39-35(46)34(45)36-28(52-39)16-49-37(47)32-29(18-3-9-21(41)10-4-18)30(33(32)38(48)53-36)19-5-11-22(42)12-6-19/h1-15,28-30,32-36,39-43,45-46H,16H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 7380 |
Link
ChEMBL
| By standard InChI | CHEMBL448212 |
|---|---|
| By standard InChI Main Layer | CHEMBL448212 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Salicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Itoa orientalis | 179731 | Salicaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL448212 |
CHEMBL973285
(1)
|
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