KNApSAcK Metabolite C00024613
Metabolite
KNApSAcK Entry
| id | C00024613 |
|---|---|
| Name | Vindoline / Vindolin / NSC 91994 / (-)-Vindoline |
| CAS RN | 2182-14-1 |
| Standard InChI | InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 1218 |
Link
ChEMBL
| By standard InChI | CHEMBL2001832 |
|---|---|
| By standard InChI Main Layer | CHEMBL526546 CHEMBL1317962 CHEMBL2001832 |
KEGG
| By LinkDB | C01626 |
|---|
CTD
| By CAS RN | C009667 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 3 |
Family
| family name | count |
|---|---|
| Apocynaceae | 3 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Catharanthus ovalis | 1167200 | Apocynaceae | asterids | Viridiplantae |
| Catharanthus roseus | 4058 | Apocynaceae | asterids | Viridiplantae |
| Melodinus fusiformis | 582713 | Apocynaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL526546 |
CHEMBL2075445
(1)
|
1 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1317962 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL1317962 |
CHEMBL1613914
(1)
|
0 / 0 |