KNApSAcK Metabolite C00014415
Metabolite
KNApSAcK Entry
| id | C00014415 |
|---|---|
| Name | Neosmitilbin / (2S,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside |
| CAS RN | 452962-93-5 |
| Standard InChI | InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7?,15-,17?,18-,19-,20+,21-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3 |
Cluster
| Phytochemical cluster | No. 14 |
|---|---|
| KCF-S cluster | No. 12 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1257642 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Smilacaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Smilax glabra | 703614 | Smilacaceae | Liliopsida | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P49327 | Fatty acid synthase | Transferase | CHEMBL1257642 |
CHEMBL1260142
(1)
|
0 / 0 |