KNApSAcK Metabolite C00005851
Metabolite
KNApSAcK Entry
| id | C00005851 |
|---|---|
| Name | Tiliroside / Potengriffioside A / Kaempferol 3-O-beta-D-(6''-coumaroyl)-glucopyranoside |
| CAS RN | 20316-62-5 |
| Standard InChI | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26?,27?,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 30 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL266564 CHEMBL499705 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C052083 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 10 |
| eudicotyledons | 2 |
| asterids | 2 |
| Spermatophyta | 2 |
| Magnoliophyta | 1 |
| Euphyllophyta | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Malvaceae | 3 |
| Pinaceae | 2 |
| Fagaceae | 2 |
| Rosaceae | 2 |
| Lauraceae | 1 |
| Cistaceae | 1 |
| Amaranthaceae | 1 |
| Platanaceae | 1 |
| Melastomataceae | 1 |
| Dennstaedtiaceae | 1 |
List (19)
* NCBI
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P47989 | Xanthine dehydrogenase/oxidase | Oxidoreductase | CHEMBL266564 |
CHEMBL1023248
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL266564 CHEMBL499705 |
CHEMBL999263
(2)
|
0 / 1 |