KNApSAcK Metabolite C00003750
Metabolite
KNApSAcK Entry
| id | C00003750 |
|---|---|
| Name | Lupeol acetate |
| CAS RN | 1617-68-1 |
| Standard InChI | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 23 |
Link
ChEMBL
| By standard InChI | CHEMBL453802 |
|---|---|
| By standard InChI Main Layer | CHEMBL453802 CHEMBL1097034 |
KEGG
| By LinkDB | C08630 |
|---|
CTD
| By CAS RN | C055329 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 6 |
| rosids | 4 |
| eudicotyledons | 1 |
| Liliopsida | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Asteraceae | 2 |
| Fabaceae | 1 |
| Sapindaceae | 1 |
| Apiaceae | 1 |
| Malvaceae | 1 |
| Lamiaceae | 1 |
| Polygonaceae | 1 |
| Boraginaceae | 1 |
| Arecaceae | 1 |
| Euphorbiaceae | 1 |
List (12)
* NCBI
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL1097034 |
CHEMBL1111927
(1)
|
0 / 0 |