KNApSAcK Metabolite C00003649
Metabolite
KNApSAcK Entry
| id | C00003649 |
|---|---|
| Name | Cyasterone |
| CAS RN | 17086-76-9 |
| Standard InChI | InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 58 |
Link
ChEMBL
| By standard InChI | CHEMBL494249 |
|---|---|
| By standard InChI Main Layer | CHEMBL494249 CHEMBL1736717 |
KEGG
| By LinkDB | C08816 |
|---|
CTD
| By CAS RN | C002082 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 5 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Lamiaceae | 5 |
| Amaranthaceae | 1 |
List (6)
* NCBI
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL494249 |
CHEMBL2091088
(1)
CHEMBL2091094
(1)
CHEMBL2091097 (1) CHEMBL2091100 (1) |
1 / 0 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | CHEMBL1736717 |
CHEMBL1738588
(1)
|
0 / 0 |