KNApSAcK Metabolite C00014451
Metabolite
KNApSAcK Entry
| id | C00014451 |
|---|---|
| Name | Isogemichalcone B / 3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone |
| CAS RN | 189031-28-5 |
| Standard InChI | InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3/b15-7+,17-8+,19-2+ |
| Standard InChI (Main Layer) | InChI=1S/C29H26O7/c1-19(18-36-28(34)17-8-21-5-11-23(31)12-6-21)2-13-24-27(33)16-14-25(29(24)35)26(32)15-7-20-3-9-22(30)10-4-20/h2-12,14-17,30-31,33,35H,13,18H2,1H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1706 |
Link
ChEMBL
| By standard InChI | CHEMBL517334 |
|---|---|
| By standard InChI Main Layer | CHEMBL497716 CHEMBL517334 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Hypericaceae | 1 |
| Moraceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Artocarpus dadah | 709041 | Moraceae | rosids | Viridiplantae |
| Hypericum geminiflorum | 860794 | Hypericaceae | 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) |
|---|---|---|---|---|---|
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL497716 CHEMBL517334 |
CHEMBL1020816
(2)
|
0 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL497716 CHEMBL517334 |
CHEMBL1020815
(2)
|
0 / 0 |