KNApSAcK Metabolite C00004240
Metabolite
KNApSAcK Entry
| id | C00004240 |
|---|---|
| Name | Pectolinarigenin 7-rutinoside / Pectolinarigenin 7-O-rutinoside |
| CAS RN | 28978-02-1 |
| Standard InChI | InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11?,18?,20-,21+,23-,24-,25?,26?,28+,29+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 1 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL445978 CHEMBL1515284 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C052786 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 3 |
Family
| family name | count |
|---|---|
| Plantaginaceae | 1 |
| Lamiaceae | 1 |
| Verbenaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Duranta plumieri | 167917 | Verbenaceae | asterids | Viridiplantae |
| Linaria vulgaris | 43171 | Plantaginaceae | asterids | Viridiplantae |
| Teucridium parvifolium | 54474 | Lamiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1515284 |
CHEMBL1794467
(1)
|
0 / 0 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL1515284 |
CHEMBL1613914
(1)
|
0 / 0 |