KNApSAcK Metabolite C00044611
Metabolite
KNApSAcK Entry
| id | C00044611 |
|---|---|
| Name | Calocoumarin A |
| CAS RN | 366477-64-7 |
| Standard InChI | InChI=1S/C25H24O5/c1-13(2)10-11-17-23(28)20-18(16-8-6-5-7-9-16)12-19(26)30-25(20)21-22(27)14(3)15(4)29-24(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H24O5/c1-13(2)10-11-17-23(28)20-18(16-8-6-5-7-9-16)12-19(26)30-25(20)21-22(27)14(3)15(4)29-24(17)21/h5-10,12,14-15,28H,11H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 17 |
|---|---|
| KCF-S cluster | No. 266 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL476875 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Calophyllaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Calophyllum brasiliense | 280748 | Calophyllaceae | rosids | Viridiplantae |
| Calophyllum inophyllum L. | 158927 | Calophyllaceae | rosids | Viridiplantae |