KNApSAcK Metabolite C00039464
Metabolite
KNApSAcK Entry
| id | C00039464 |
|---|---|
| Name | Itoside E / (-)-Itoside E |
| CAS RN | 1000070-01-8 |
| Standard InChI | InChI=1S/C27H26O11/c28-13-21-22(31)23(32)24(38-25(33)15-6-2-1-3-7-15)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2/t21-,22-,23+,24-,27-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H26O11/c28-13-21-22(31)23(32)24(38-25(33)15-6-2-1-3-7-15)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 679 |
Link
ChEMBL
| By standard InChI | CHEMBL512449 |
|---|---|
| By standard InChI Main Layer | CHEMBL512449 |
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 | CHEMBL512449 |
CHEMBL973285
(1)
|
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