KNApSAcK Metabolite C00049563
Metabolite
KNApSAcK Entry
| id | C00049563 |
|---|---|
| Name | Ilekudinoside H / (-)-Ilekudinoside H |
| CAS RN | 243635-69-0 |
| Standard InChI | InChI=1S/C53H84O23/c1-21-29(58)32(61)35(64)42(69-21)75-39-37(73-45-38(34(63)31(60)26(19-55)71-45)74-43-36(65)33(62)30(59)25(18-54)70-43)24(57)20-68-44(39)72-28-10-11-48(4)27(47(28,2)3)9-12-50(6)41(48)23(56)17-22-40-52(8,67)51(7)14-16-53(40,46(66)76-51)15-13-49(22,50)5/h21,23-39,41-45,54-65,67H,9-20H2,1-8H3/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,41+,42-,43-,44-,45-,48-,49+,50+,51-,52+,53+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C53H84O23/c1-21-29(58)32(61)35(64)42(69-21)75-39-37(73-45-38(34(63)31(60)26(19-55)71-45)74-43-36(65)33(62)30(59)25(18-54)70-43)24(57)20-68-44(39)72-28-10-11-48(4)27(47(28,2)3)9-12-50(6)41(48)23(56)17-22-40-52(8,67)51(7)14-16-53(40,46(66)76-51)15-13-49(22,50)5/h21,23-39,41-45,54-65,67H,9-20H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 4 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL509740 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Aquifoliaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ilex kudincha | 4295 | Aquifoliaceae | 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) |
|---|---|---|---|---|---|
| P35610 | Sterol O-acyltransferase 1 | Enzyme | CHEMBL509740 |
CHEMBL978555
(1)
CHEMBL978556
(1)
CHEMBL978557 (1) |
0 / 0 |