KNApSAcK Metabolite C00049566
Metabolite
KNApSAcK Entry
| id | C00049566 |
|---|---|
| Name | Scammonin II |
| CAS RN | 131747-24-5 |
| Standard InChI | InChI=1S/C45H78O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h22-27,29-40,42-46,48-54H,7-21H2,1-6H3/t22-,23+,24+,25-,26-,27+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,42-,43-,44-,45-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C45H78O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h22-27,29-40,42-46,48-54H,7-21H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 87 |
Link
ChEMBL
| By standard InChI | CHEMBL506030 |
|---|---|
| By standard InChI Main Layer | CHEMBL388328 CHEMBL506030 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C069902 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Convolvulaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ipomoea orizabensis | 264532 | Convolvulaceae | asterids | Viridiplantae |