KNApSAcK Metabolite C00012889
Metabolite
KNApSAcK Entry
| id | C00012889 |
|---|---|
| Name | Atractylenolide I / (4aS-trans)- 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one |
| CAS RN | 73069-13-3 |
| Standard InChI | InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1624 |
Link
ChEMBL
| By standard InChI | CHEMBL449520 |
|---|---|
| By standard InChI Main Layer | CHEMBL449520 |
KEGG
| By LinkDB | C17885 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Atractylodes japonica | 41486 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P04637 | Cellular tumor antigen p53 | Transcription Factor | CHEMBL449520 |
CHEMBL2214034
(1)
|
7 / 44 |
| P09917 | Arachidonate 5-lipoxygenase | Oxidoreductase | CHEMBL449520 |
CHEMBL1023322
(1)
|
0 / 0 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL449520 |
CHEMBL1023323
(1)
|
0 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (7)
| OMIM | preferred title | UniProt |
|---|---|---|
| #202300 | Adrenocortical carcinoma, hereditary; adcc |
P04637
|
| #614740 | Basal cell carcinoma, susceptibility to, 7; bcc7 |
P04637
|
| #133239 | Esophageal cancer |
P04637
|
| #151623 | Li-fraumeni syndrome 1; lfs1 |
P04637
|
| #211980 | Lung cancer |
P04637
|
| #260500 | Papilloma of choroid plexus; cpp |
P04637
|
| #275355 | Squamous cell carcinoma, head and neck; hnscc |
P04637
|
KEGG DISEASE (37)
| KEGG | disease name | UniProt |
|---|---|---|
| H00004 | Chronic myeloid leukemia (CML) |
P04637
(related)
|
| H00005 | Chronic lymphocytic leukemia (CLL) |
P04637
(related)
|
| H00006 | Hairy-cell leukemia |
P04637
(related)
|
| H00008 | Burkitt lymphoma |
P04637
(related)
|
| H00009 | Adult T-cell leukemia |
P04637
(related)
|
| H00010 | Multiple myeloma |
P04637
(related)
|
| H00013 | Small cell lung cancer |
P04637
(related)
|
| H00014 | Non-small cell lung cancer |
P04637
(related)
|
| H00015 | Malignant pleural mesothelioma |
P04637
(related)
|
| H00016 | Oral cancer |
P04637
(related)
P04637 (marker) |
| H00017 | Esophageal cancer |
P04637
(related)
P04637 (marker) |
| H00018 | Gastric cancer |
P04637
(related)
|
| H00019 | Pancreatic cancer |
P04637
(related)
P04637 (marker) |
| H00020 | Colorectal cancer |
P04637
(related)
P04637 (marker) |
| H00022 | Bladder cancer |
P04637
(related)
|
| H00025 | Penile cancer |
P04637
(related)
P04637 (marker) |
| H00026 | Endometrial Cancer |
P04637
(related)
|
| H00027 | Ovarian cancer |
P04637
(related)
|
| H00028 | Choriocarcinoma |
P04637
(related)
|
| H00029 | Vulvar cancer |
P04637
(related)
|
| H00031 | Breast cancer |
P04637
(related)
|
| H00032 | Thyroid cancer |
P04637
(related)
|
| H00033 | Adrenal carcinoma |
P04637
(related)
|
| H00036 | Osteosarcoma |
P04637
(related)
|
| H00038 | Malignant melanoma |
P04637
(related)
|
| H00039 | Basal cell carcinoma |
P04637
(related)
|
| H00040 | Squamous cell carcinoma |
P04637
(related)
|
| H00041 | Kaposi's sarcoma |
P04637
(related)
|
| H00042 | Glioma |
P04637
(related)
P04637 (marker) |
| H00044 | Cancer of the anal canal |
P04637
(related)
|
| H00046 | Cholangiocarcinoma |
P04637
(related)
|
| H00047 | Gallbladder cancer |
P04637
(related)
|
| H00048 | Hepatocellular carcinoma |
P04637
(related)
|
| H00055 | Laryngeal cancer |
P04637
(related)
P04637 (marker) |
| H00881 | Li-Fraumeni syndrome |
P04637
(related)
|
| H01007 | Choroid plexus papilloma |
P04637
(related)
|
| H00021 | Renal cell carcinoma |
P04637
(marker)
|