KNApSAcK Metabolite C00039462
Metabolite
KNApSAcK Entry
| id | C00039462 |
|---|---|
| Name | Itoside C / (-)-Itoside C |
| CAS RN | 1000069-99-7 |
| Standard InChI | InChI=1S/C27H28O12/c28-13-19-21(31)23(39-24(33)15-6-2-1-3-7-15)22(32)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21-,22-,23+,25-,27?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H28O12/c28-13-19-21(31)23(39-24(33)15-6-2-1-3-7-15)22(32)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 679 |
Link
ChEMBL
| By standard InChI | CHEMBL522364 |
|---|---|
| By standard InChI Main Layer | CHEMBL522364 |
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 | CHEMBL522364 |
CHEMBL973285
(1)
|
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