KNApSAcK Metabolite C00034790
Metabolite
KNApSAcK Entry
| id | C00034790 |
|---|---|
| Name | Aesculioside IId / (-)-Aesculioside IId |
| CAS RN | 886840-41-1 |
| Standard InChI | InChI=1S/C46H72O17/c1-9-21(2)38(58)63-36-35(55)46(20-49)23(16-41(36,3)4)22-10-11-26-42(5)14-13-28(43(6,19-48)25(42)12-15-44(26,7)45(22,8)17-27(46)50)60-40-32(54)33(31(53)34(62-40)37(56)57)61-39-30(52)29(51)24(18-47)59-39/h9-10,23-36,39-40,47-55H,11-20H2,1-8H3,(H,56,57)/b21-9-/t23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,39-,40+,42-,43+,44+,45+,46-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C46H72O17/c1-9-21(2)38(58)63-36-35(55)46(20-49)23(16-41(36,3)4)22-10-11-26-42(5)14-13-28(43(6,19-48)25(42)12-15-44(26,7)45(22,8)17-27(46)50)60-40-32(54)33(31(53)34(62-40)37(56)57)61-39-30(52)29(51)24(18-47)59-39/h9-10,23-36,39-40,47-55H,11-20H2,1-8H3,(H,56,57) |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 1359 |
Link
ChEMBL
| By standard InChI | CHEMBL1095016 |
|---|---|
| By standard InChI Main Layer | CHEMBL1095016 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Hippocastanaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aesculus pavia | 43872 | Hippocastanaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL1095016 |
CHEMBL1111926
(1)
CHEMBL1110069
(1)
CHEMBL1110070 (1) CHEMBL1110072 (1) CHEMBL1110074 (1) CHEMBL1110076 (1) CHEMBL1110077 (1) CHEMBL1110078 (1) |
0 / 0 |
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL1095016 |
CHEMBL1111927
(1)
|
0 / 0 |