KNApSAcK Metabolite C00039461
Metabolite
KNApSAcK Entry
| id | C00039461 |
|---|---|
| Name | Itoside B / (-)-Itoside B |
| CAS RN | 1000069-98-6 |
| Standard InChI | InChI=1S/C34H32O13/c35-23-14-15-24(22(17-23)18-44-33(41)34(42)16-8-7-13-26(34)36)45-32-29(47-31(40)21-11-5-2-6-12-21)28(38)27(37)25(46-32)19-43-30(39)20-9-3-1-4-10-20/h1-6,8-12,14-17,25,27-29,32,35,37-38,42H,7,13,18-19H2/t25-,27-,28+,29-,32-,34?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H32O13/c35-23-14-15-24(22(17-23)18-44-33(41)34(42)16-8-7-13-26(34)36)45-32-29(47-31(40)21-11-5-2-6-12-21)28(38)27(37)25(46-32)19-43-30(39)20-9-3-1-4-10-20/h1-6,8-12,14-17,25,27-29,32,35,37-38,42H,7,13,18-19H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 679 |
Link
ChEMBL
| By standard InChI | CHEMBL500459 |
|---|---|
| By standard InChI Main Layer | CHEMBL500459 |
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 | CHEMBL500459 |
CHEMBL973285
(1)
|
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