KNApSAcK Metabolite C00030031
Metabolite
KNApSAcK Entry
| id | C00030031 |
|---|---|
| Name | Cucurbitacin I 2-O-beta-D-glucopyranoside |
| CAS RN | 29803-94-9 |
| Standard InChI | InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 315 |
Link
ChEMBL
| By standard InChI | CHEMBL1765380 |
|---|---|
| By standard InChI Main Layer | CHEMBL1723294 CHEMBL1765380 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Cucurbitaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Citrullus colocynthis (L.) | 3653 | Cucurbitaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1723294 |
CHEMBL1794401
(1)
|
0 / 0 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | CHEMBL1723294 |
CHEMBL1738588
(1)
|
0 / 0 |