KNApSAcK Metabolite C00023769
Metabolite
KNApSAcK Entry
| id | C00023769 |
|---|---|
| Name | Clionasterol / gamma-Sitosterol |
| CAS RN | 83-47-6 |
| Standard InChI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 53 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL221542 CHEMBL1398443 CHEMBL1875388 |
KEGG
| By LinkDB | C19654 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Liliopsida | 1 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Physaraceae | 2 |
| Acoraceae | 1 |
| Chattonellaceae | 1 |
| Polygonaceae | 1 |
List (6)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Acorus calanus L. | 4464 | Acoraceae | Liliopsida | Viridiplantae |
| Chloromorum toxicum | 299907 | Eukaryota | ||
| Heterosigma akashiwo | 2829 | Chattonellaceae | Eukaryota | |
| Physarum flavicomum | 35220 | Physaraceae | Eukaryota | |
| Physarum polycephalum | 5791 | Physaraceae | Eukaryota | |
| Polygonum bistorta | 125587 | Polygonaceae | eudicotyledons | Viridiplantae |
Human Protein / Gene in interaction
17 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL221542 CHEMBL1398443 |
CHEMBL1000806
(1)
CHEMBL1741321
(1)
|
1 / 0 |
| P18031 | Tyrosine-protein phosphatase non-receptor type 1 | Tyr | CHEMBL221542 |
CHEMBL980220
(1)
CHEMBL1106811
(1)
|
0 / 0 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1875388 |
CHEMBL1794499
(1)
|
2 / 0 |
| P06746 | DNA polymerase beta | Enzyme | CHEMBL221542 |
CHEMBL993810
(1)
|
0 / 0 |
| P08047 | Transcription factor Sp1 | Unclassified protein | CHEMBL221542 |
CHEMBL1058704
(1)
|
0 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1398443 |
CHEMBL1614361
(1)
|
3 / 2 |
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL221542 |
CHEMBL2075442
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1398443 |
CHEMBL1741325
(1)
|
0 / 1 |
| P49841 | Glycogen synthase kinase-3 beta | Gsk | CHEMBL221542 |
CHEMBL1053705
(1)
|
0 / 0 |
| P00734 | Prothrombin | S1A | CHEMBL221542 |
CHEMBL976587
(1)
|
4 / 2 |
| P14679 | Tyrosinase | Oxidoreductase | CHEMBL221542 |
CHEMBL987571
(1)
|
4 / 2 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1398443 |
CHEMBL1741322
(1)
|
0 / 0 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL221542 |
CHEMBL999944
(1)
|
1 / 1 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1398443 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL221542 CHEMBL1398443 |
CHEMBL1000805
(1)
CHEMBL1741324
(1)
|
0 / 1 |
| P80365 | Corticosteroid 11-beta-dehydrogenase isozyme 2 | Enzyme | CHEMBL221542 |
CHEMBL1072765
(1)
|
1 / 1 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1398443 |
CHEMBL1614364
(1)
|
1 / 1 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (19)
| OMIM | preferred title | UniProt |
|---|---|---|
| #103470 | Albinism, ocular, with sensorineural deafness |
P14679
|
| #203100 | Albinism, oculocutaneous, type ia; oca1a |
P14679
|
| #606952 | Albinism, oculocutaneous, type ib; oca1b |
P14679
|
| #218030 | Apparent mineralocorticoid excess; ame |
P80365
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #615363 | Estrogen resistance; estrr |
P03372
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #614390 | Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 |
P00734
|
| #613679 | Prothrombin deficiency, congenital |
P00734
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #601800 | Skin/hair/eye pigmentation, variation in, 3; shep3 |
P14679
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
| #601367 | Stroke, ischemic |
P00734
|
| #188050 | Thrombophilia due to thrombin defect; thph1 |
P00734
|
KEGG DISEASE (12)
| KEGG | disease name | UniProt |
|---|---|---|
| H00223 | Inherited thrombophilia |
P00734
(related)
|
| H01254 | Congenital prothrombin deficiency |
P00734
(related)
|
| H00026 | Endometrial Cancer |
P03372
(marker)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00168 | Oculocutaneous albinism (OCA) |
P14679
(related)
|
| H00038 | Malignant melanoma |
P14679
(marker)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00259 | Apparent mineralocorticoid excess syndrome |
P80365
(related)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|