KNApSAcK Metabolite C00029633
Metabolite
KNApSAcK Entry
| id | C00029633 |
|---|---|
| Name | Ursolic acid / Acetylursolic acid |
| CAS RN | 7372-30-7 |
| Standard InChI | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 177 |
Link
ChEMBL
| By standard InChI | CHEMBL410525 |
|---|---|
| By standard InChI Main Layer | CHEMBL55086 CHEMBL410525 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 59 |
| rosids | 18 |
| Liliopsida | 1 |
| eudicotyledons | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Lamiaceae | 18 |
| Ebenaceae | 16 |
| Ericaceae | 6 |
| Myrtaceae | 5 |
| Rubiaceae | 5 |
| Moraceae | 2 |
| Verbenaceae | 2 |
| Apocynaceae | 2 |
| Oleaceae | 1 |
| Onagraceae | 1 |
List (80)
* NCBI
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P06746 | DNA polymerase beta | Enzyme | CHEMBL410525 |
CHEMBL1614079
(1)
|
0 / 0 |
| P11511 | Cytochrome P450 19A1 | Cytochrome P450 19A1 | CHEMBL410525 |
CHEMBL978975
(1)
|
2 / 2 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL410525 |
CHEMBL1614211
(1)
|
0 / 0 |
| P46063 | ATP-dependent DNA helicase Q1 | Enzyme | CHEMBL410525 |
CHEMBL1613829
(1)
|
0 / 0 |