KNApSAcK Metabolite C00045835
Metabolite
KNApSAcK Entry
| id | C00045835 |
|---|---|
| Name | Demethylzeylasterone |
| CAS RN | 87064-40-2 |
| Standard InChI | InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)/t19-,25-,26-,27+,28-,29+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2913 |
Link
ChEMBL
| By standard InChI | CHEMBL465251 |
|---|---|
| By standard InChI Main Layer | CHEMBL465251 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Celastraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Kokoona zeylanica | 123559 | Celastraceae | rosids | Viridiplantae |
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 | CHEMBL465251 |
CHEMBL950595
(1)
CHEMBL950596
(1)
CHEMBL950599 (1) |
0 / 0 |