KNApSAcK Metabolite C00039789
Metabolite
KNApSAcK Entry
| id | C00039789 |
|---|---|
| Name | Monocillin III / (-)-Monocillin III |
| CAS RN | 75207-11-3 |
| Standard InChI | InChI=1S/C18H20O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3/b4-2+/t10-,15-,16-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C18H20O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 981 |
Link
ChEMBL
| By standard InChI | CHEMBL404204 |
|---|---|
| By standard InChI Main Layer | CHEMBL404204 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Phaeosphaeriaceae | 1 |
| Clavicipitaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Paraphaeosphaeria quadriseptata | 125377 | Phaeosphaeriaceae | Fungi | |
| Pochonia chlamydosporia var.catenulata strain P0297 | 243023 | Clavicipitaceae | Fungi |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q92731 | Estrogen receptor beta | NR3A2 | CHEMBL404204 |
CHEMBL992089
(1)
|
0 / 1 |