KNApSAcK Metabolite C00039460
Metabolite
KNApSAcK Entry
| id | C00039460 |
|---|---|
| Name | Itoside A / (-)-Itoside A |
| CAS RN | 1000069-91-9 |
| Standard InChI | InChI=1S/C20H22O9/c21-9-12-8-13(23)6-7-14(12)27-20-18(17(25)16(24)15(10-22)28-20)29-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H22O9/c21-9-12-8-13(23)6-7-14(12)27-20-18(17(25)16(24)15(10-22)28-20)29-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 532 |
Link
ChEMBL
| By standard InChI | CHEMBL497134 |
|---|---|
| By standard InChI Main Layer | CHEMBL497134 |
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 | CHEMBL497134 |
CHEMBL973285
(1)
|
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