KNApSAcK Metabolite C00036801
Metabolite
KNApSAcK Entry
| id | C00036801 |
|---|---|
| Name | beta-Methylcubebin |
| CAS RN | 173653-83-3 |
| Standard InChI | InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3 |
Cluster
| Phytochemical cluster | No. 21 |
|---|---|
| KCF-S cluster | No. 629 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL520915 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Lychnophora ericoides | 594549 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL520915 |
CHEMBL970954
(1)
|
1 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL520915 |
CHEMBL970953
(1)
|
0 / 1 |