KNApSAcK Metabolite C00003230
Metabolite
KNApSAcK Entry
| id | C00003230 |
|---|---|
| Name | Centaurepensin / Chlorohyssopifolin A |
| CAS RN | 37006-36-3 |
| Standard InChI | InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 412 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL272221 CHEMBL1334114 |
KEGG
| By LinkDB | C09359 |
|---|
CTD
| By CAS RN | C027463 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 4 |
Family
| family name | count |
|---|---|
| Asteraceae | 4 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Acroptilon repens | 41466 | Asteraceae | asterids | Viridiplantae |
| Centaurea hyssopifolia | 363430 | Asteraceae | asterids | Viridiplantae |
| Centaurea spp. | 41503 | Asteraceae | asterids | Viridiplantae |
| Serratula strangulata | 324596 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1334114 |
CHEMBL1794311
(1)
|
2 / 3 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1334114 |
CHEMBL1614458
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1334114 |
CHEMBL1614421
(1)
|
4 / 3 |
| O00255 | Menin | Unclassified protein | CHEMBL1334114 |
CHEMBL1614257
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1334114 |
CHEMBL1614257
(1)
|
1 / 3 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (9)
| OMIM | preferred title | UniProt |
|---|---|---|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
KEGG DISEASE (13)
| KEGG | disease name | UniProt |
|---|---|---|
| H00033 | Adrenal carcinoma |
O00255
(related)
|
| H00034 | Carcinoid |
O00255
(related)
|
| H00045 | Malignant islet cell carcinoma |
O00255
(related)
|
| H00246 | Primary hyperparathyroidism |
O00255
(related)
|
| H01102 | Pituitary adenomas |
O00255
(related)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00342 | Tuberculosis |
P11473
(related)
|
| H00784 | Localized autosomal recessive hypotrichosis |
P11473
(related)
|
| H01143 | Vitamin D-dependent rickets |
P11473
(related)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q03164
(related)
Q03164 (marker) |
| H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(related)
|