KNApSAcK Metabolite C00041405
Metabolite
KNApSAcK Entry
| id | C00041405 |
|---|---|
| Name | Calactinic acid methyl ester |
| CAS RN | 24211-77-6 |
| Standard InChI | InChI=1S/C30H42O10/c1-16-12-29(35,25(34)37-3)26(39-16)40-23-11-18-4-5-21-20(28(18,15-31)13-22(23)32)6-8-27(2)19(7-9-30(21,27)36)17-10-24(33)38-14-17/h10,15-16,18-23,26,32,35-36H,4-9,11-14H2,1-3H3/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H42O10/c1-16-12-29(35,25(34)37-3)26(39-16)40-23-11-18-4-5-21-20(28(18,15-31)13-22(23)32)6-8-27(2)19(7-9-30(21,27)36)17-10-24(33)38-14-17/h10,15-16,18-23,26,32,35-36H,4-9,11-14H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 56 |
|---|---|
| KCF-S cluster | No. 468 |
Link
ChEMBL
| By standard InChI | CHEMBL499114 |
|---|---|
| By standard InChI Main Layer | CHEMBL499114 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Apocynaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Calotropis gigantea | 4066 | Apocynaceae | asterids | Viridiplantae |