KNApSAcK Metabolite C00041360
Metabolite
KNApSAcK Entry
| id | C00041360 |
|---|---|
| Name | Ashwagandhanolide / (+)-Ashwagandhanolide |
| CAS RN | 919478-81-2 |
| Standard InChI | InChI=1S/C56H78O12S/c1-27-21-41(67-49(63)33(27)25-57)29(3)35-9-11-37-31-23-47(55(65)45(61)15-13-43(59)53(55,7)39(31)17-19-51(35,37)5)69-48-24-32-38-12-10-36(30(4)42-22-28(2)34(26-58)50(64)68-42)52(38,6)20-18-40(32)54(8)44(60)14-16-46(62)56(48,54)66/h13-16,29-32,35-42,45-48,57-58,61-62,65-66H,9-12,17-26H2,1-8H3/t29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41+,42+,45-,46-,47-,48?,51+,52+,53-,54-,55+,56+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C56H78O12S/c1-27-21-41(67-49(63)33(27)25-57)29(3)35-9-11-37-31-23-47(55(65)45(61)15-13-43(59)53(55,7)39(31)17-19-51(35,37)5)69-48-24-32-38-12-10-36(30(4)42-22-28(2)34(26-58)50(64)68-42)52(38,6)20-18-40(32)54(8)44(60)14-16-46(62)56(48,54)66/h13-16,29-32,35-42,45-48,57-58,61-62,65-66H,9-12,17-26H2,1-8H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 8286 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL507211 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Solanaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Withania somnifera | 126910 | Solanaceae | asterids | 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 | CHEMBL507211 |
CHEMBL980487
(1)
|
0 / 3 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | CHEMBL507211 |
CHEMBL973208
(1)
|
0 / 0 |