KNApSAcK Metabolite C00009514
Metabolite
KNApSAcK Entry
| id | C00009514 |
|---|---|
| Name | Scandenone / Warangalone |
| CAS RN | 4449-55-2 |
| Standard InChI | InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3 |
| Standard InChI (Main Layer) | InChI=1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 18 |
Link
ChEMBL
| By standard InChI | CHEMBL458134 |
|---|---|
| By standard InChI Main Layer | CHEMBL458134 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C105205 |
|---|