KNApSAcK Metabolite C00029665
Metabolite
KNApSAcK Entry
| id | C00029665 |
|---|---|
| Name | alpha-Amyrone / alpha-Amirenone / Urs-12-en-3-one |
| CAS RN | 638-96-0 |
| Standard InChI | InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | CHEMBL518475 |
|---|---|
| By standard InChI Main Layer | CHEMBL518475 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C073947 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Apocynaceae | 1 |
| Gentianaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Gentiana lutea | 38851 | Gentianaceae | asterids | Viridiplantae |
| Plumeria obtusa L. | 85246 | Apocynaceae | asterids | Viridiplantae |