KNApSAcK Metabolite C00016820
Metabolite
KNApSAcK Entry
| id | C00016820 |
|---|---|
| Name | L 694599 / GR 105155X / Squalestatin / Squalestatin 1 / Squalestatin S1 / Zaragozic acid A |
| CAS RN | 142561-96-4 |
| Standard InChI | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2304 |
Link
ChEMBL
| By standard InChI | CHEMBL280978 |
|---|---|
| By standard InChI Main Layer | CHEMBL280978 CHEMBL40991 CHEMBL302601 CHEMBL86319 CHEMBL434998 CHEMBL1477148 CHEMBL1886451 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C075117 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Pleosporaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Setosphaeria khartoumensis L1685 | 39952 | Pleosporaceae | Fungi |
Human Protein / Gene in interaction
8 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P37268 | Squalene synthase | Enzyme | CHEMBL280978 CHEMBL40991 CHEMBL302601 CHEMBL86319 |
CHEMBL808215
(1)
CHEMBL809142
(1)
CHEMBL809144 (1) CHEMBL873254 (1) CHEMBL809146 (1) CHEMBL1244159 (1) CHEMBL1244179 (2) CHEMBL1244182 (2) |
0 / 0 |
| P54132 | Bloom syndrome protein | Enzyme | CHEMBL1477148 |
CHEMBL1614067
(1)
|
1 / 2 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1477148 |
CHEMBL1794311
(1)
|
2 / 3 |
| Q92830 | Histone acetyltransferase KAT2A | Enzyme | CHEMBL1477148 |
CHEMBL1738606
(1)
|
0 / 0 |
| P31749 | RAC-alpha serine/threonine-protein kinase | Akt | CHEMBL280978 |
CHEMBL1244167
(1)
CHEMBL1244168
(1)
|
4 / 1 |
| Q9UNA4 | DNA polymerase iota | Enzyme | CHEMBL1886451 |
CHEMBL1794483
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1477148 |
CHEMBL1614421
(1)
|
4 / 3 |
| Q9UBT6 | DNA polymerase kappa | Enzyme | CHEMBL1477148 CHEMBL1886451 |
CHEMBL1794536
(2)
|
0 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (11)
| OMIM | preferred title | UniProt |
|---|---|---|
| #210900 | Bloom syndrome; blm |
P54132
|
| #114480 | Breast cancer |
P31749
|
| #114500 | Colorectal cancer; crc |
P31749
|
| #615109 | Cowden syndrome 6; cws6 |
P31749
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #176920 | Proteus syndrome |
P31749
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
KEGG DISEASE (9)
| KEGG | disease name | UniProt |
|---|---|---|
| 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)
|
| H00539 | PTEN hamartoma tumor syndrome (PHTS) |
P31749
(related)
|
| H00094 | DNA repair defects |
P54132
(related)
|
| H00296 | Defects in RecQ helicases |
P54132
(related)
|