KNApSAcK Metabolite C00049561
Metabolite
KNApSAcK Entry
| id | C00049561 |
|---|---|
| Name | Ilekudinoside F / (+)-Ilekudinoside F |
| CAS RN | 243635-67-8 |
| Standard InChI | InChI=1S/C65H104O31/c1-24-12-17-65(59(83)96-58-50(44(79)39(74)31(22-68)90-58)93-53-45(80)40(75)35(70)25(2)86-53)19-18-62(7)27(52(65)64(24,9)84)10-11-33-61(6)15-14-34(60(4,5)32(61)13-16-63(33,62)8)91-56-51(95-54-46(81)41(76)36(71)26(3)87-54)48(28(69)23-85-56)92-57-49(43(78)38(73)30(21-67)89-57)94-55-47(82)42(77)37(72)29(20-66)88-55/h10,25-26,28-58,66-82,84H,1,11-23H2,2-9H3/t25-,26-,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-,61-,62+,63+,64+,65-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C65H104O31/c1-24-12-17-65(59(83)96-58-50(44(79)39(74)31(22-68)90-58)93-53-45(80)40(75)35(70)25(2)86-53)19-18-62(7)27(52(65)64(24,9)84)10-11-33-61(6)15-14-34(60(4,5)32(61)13-16-63(33,62)8)91-56-51(95-54-46(81)41(76)36(71)26(3)87-54)48(28(69)23-85-56)92-57-49(43(78)38(73)30(21-67)89-57)94-55-47(82)42(77)37(72)29(20-66)88-55/h10,25-26,28-58,66-82,84H,1,11-23H2,2-9H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 4 |
Link
ChEMBL
| By standard InChI | CHEMBL510013 |
|---|---|
| By standard InChI Main Layer | CHEMBL510013 |
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 | CHEMBL510013 |
CHEMBL978555
(1)
CHEMBL978556
(1)
CHEMBL978557 (1) |
0 / 0 |