KNApSAcK Metabolite C00043900
Metabolite
KNApSAcK Entry
| id | C00043900 |
|---|---|
| Name | Scabiosaponin G / (-)-Scabiosaponin G |
| CAS RN | 689257-66-7 |
| Standard InChI | InChI=1S/C65H106O31/c1-25-36(70)51(94-55-48(82)44(78)50(31(22-68)90-55)93-54-46(80)42(76)39(73)30(21-67)89-54)49(83)57(87-25)95-52-37(71)28(69)23-85-58(52)92-35-12-13-62(6)33(61(35,4)5)11-14-64(8)34(62)10-9-26-27-19-60(2,3)15-17-65(27,18-16-63(26,64)7)59(84)96-56-47(81)43(77)40(74)32(91-56)24-86-53-45(79)41(75)38(72)29(20-66)88-53/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C65H106O31/c1-25-36(70)51(94-55-48(82)44(78)50(31(22-68)90-55)93-54-46(80)42(76)39(73)30(21-67)89-54)49(83)57(87-25)95-52-37(71)28(69)23-85-58(52)92-35-12-13-62(6)33(61(35,4)5)11-14-64(8)34(62)10-9-26-27-19-60(2,3)15-17-65(27,18-16-63(26,64)7)59(84)96-56-47(81)43(77)40(74)32(91-56)24-86-53-45(79)41(75)38(72)29(20-66)88-53/h9,25,27-58,66-83H,10-24H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 4 |
Link
ChEMBL
| By standard InChI | CHEMBL445174 |
|---|---|
| By standard InChI Main Layer | CHEMBL445174 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Caprifoliaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Scabiosa tschiliensis | 180067 | Caprifoliaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P16233 | Pancreatic triacylglycerol lipase | Hydrolase | CHEMBL445174 |
CHEMBL1016783
(1)
|
0 / 0 |