KNApSAcK Metabolite C00028946
Metabolite
KNApSAcK Entry
| id | C00028946 |
|---|---|
| Name | Rubijervine |
| CAS RN | 79-58-3 |
| Standard InChI | InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,22?,23-,24-,25-,26-,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 265 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1512978 CHEMBL1993702 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Liliopsida | 5 |
Family
| family name | count |
|---|---|
| Melanthiaceae | 5 |
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Veratrum dahuricum | 386441 | Melanthiaceae | Liliopsida | Viridiplantae |
| Veratrum lobelianum | 203095 | Melanthiaceae | Liliopsida | Viridiplantae |
| Veratrum nigrum | 203100 | Melanthiaceae | Liliopsida | Viridiplantae |
| Veratrum oxysepalum | 386443 | Melanthiaceae | Liliopsida | Viridiplantae |
| Veratrum viride Ait. | 50241 | Melanthiaceae | Liliopsida | Viridiplantae |
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1512978 |
CHEMBL1614110
(1)
CHEMBL1741321
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1512978 |
CHEMBL1741325
(1)
|
0 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1512978 |
CHEMBL1741322
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1512978 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1512978 |
CHEMBL1741324
(1)
|
0 / 1 |