KNApSAcK Metabolite C00046537
Metabolite
KNApSAcK Entry
| id | C00046537 |
|---|---|
| Name | Z-Harpagoside |
| CAS RN | 133645-36-0 |
| Standard InChI | InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7-/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 120 |
Link
ChEMBL
| By standard InChI | CHEMBL464888 |
|---|---|
| By standard InChI Main Layer | CHEMBL516702 CHEMBL464888 CHEMBL1525311 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Scrophulariaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Scrophularia buergeriana | 476207 | Scrophulariaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
11 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1525311 |
CHEMBL1741321
(1)
|
1 / 0 |
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL516702 |
CHEMBL1816430
(1)
|
0 / 3 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1525311 |
CHEMBL1614361
(1)
|
3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1525311 |
CHEMBL1741325
(1)
|
0 / 1 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1525311 |
CHEMBL1614458
(1)
|
0 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL516702 |
CHEMBL2114780
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL516702 |
CHEMBL1794401
(1)
|
0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1525311 |
CHEMBL1741322
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1525311 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1525311 |
CHEMBL1741324
(1)
|
0 / 1 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL516702 |
CHEMBL1738442
(1)
|
0 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (5)
| OMIM | preferred title | UniProt |
|---|---|---|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
KEGG DISEASE (8)
| KEGG | disease name | UniProt |
|---|---|---|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00017 | Esophageal cancer |
P35354
(related)
|
| H00025 | Penile cancer |
P35354
(related)
|
| H00046 | Cholangiocarcinoma |
P35354
(related)
|