KNApSAcK Metabolite C00049002
Metabolite
KNApSAcK Entry
| id | C00049002 |
|---|---|
| Name | Methyl 3alpha-hydroxy-3-deoxyangolensate |
| CAS RN | 30300-36-8 |
| Standard InChI | InChI=1S/C27H36O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-20,23,28H,1,7,9,11-13H2,2-6H3 |
| Standard InChI (Main Layer) | InChI=1S/C27H36O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-20,23,28H,1,7,9,11-13H2,2-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1249 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1512719 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ekebergia capensis | 124949 | Meliaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O75604 | Ubiquitin carboxyl-terminal hydrolase 2 | Enzyme | CHEMBL1512719 |
CHEMBL1614331
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1512719 |
CHEMBL1794467
(1)
|
0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | CHEMBL1512719 |
CHEMBL1613808
(1)
|
0 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1512719 |
CHEMBL1614108
(2)
CHEMBL1613886
(2)
|
0 / 1 |