KNApSAcK Metabolite C00013144
Metabolite
KNApSAcK Entry
| id | C00013144 |
|---|---|
| Name | Elat 5 / Celahin D / [3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 6,7,10-triacetate 4,5-dibenzoate |
| CAS RN | 122475-47-2 |
| Standard InChI | InChI=1S/C37H42O13/c1-20-18-27(45-22(3)39)30(46-23(4)40)36(19-44-21(2)38)32(49-34(43)26-16-12-9-13-17-26)29(48-33(42)25-14-10-8-11-15-25)28-31(47-24(5)41)37(20,36)50-35(28,6)7/h8-17,20,27-32H,18-19H2,1-7H3 |
| Standard InChI (Main Layer) | InChI=1S/C37H42O13/c1-20-18-27(45-22(3)39)30(46-23(4)40)36(19-44-21(2)38)32(49-34(43)26-16-12-9-13-17-26)29(48-33(42)25-14-10-8-11-15-25)28-31(47-24(5)41)37(20,36)50-35(28,6)7/h8-17,20,27-32H,18-19H2,1-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 173 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL434717 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Celastraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Celastrus hindsii BENTH | 85180 | Celastraceae | rosids | Viridiplantae |
| Euonymus latifolius | 1089399 | 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) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL434717 |
CHEMBL895371
(3)
|
1 / 0 |