KNApSAcK Metabolite C00039467
Metabolite
KNApSAcK Entry
| id | C00039467 |
|---|---|
| Name | Itoside H / (-)-Itoside H |
| CAS RN | 1000070-04-1 |
| Standard InChI | InChI=1S/C27H26O11/c28-17-10-11-20(16(12-17)13-35-26(34)18-8-4-5-9-19(18)29)37-27-24(32)23(31)22(30)21(38-27)14-36-25(33)15-6-2-1-3-7-15/h1-12,21-24,27-32H,13-14H2/t21-,22-,23+,24-,27-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H26O11/c28-17-10-11-20(16(12-17)13-35-26(34)18-8-4-5-9-19(18)29)37-27-24(32)23(31)22(30)21(38-27)14-36-25(33)15-6-2-1-3-7-15/h1-12,21-24,27-32H,13-14H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 679 |
Link
ChEMBL
| By standard InChI | CHEMBL513529 |
|---|---|
| By standard InChI Main Layer | CHEMBL513529 |
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 | CHEMBL513529 |
CHEMBL973285
(1)
|
0 / 3 |