KNApSAcK Metabolite C00005547
Metabolite
KNApSAcK Entry
| id | C00005547 |
|---|---|
| Name | Isorhamnetin 3-neohesperidoside / Isorhamnetin 3-O-neohesperidoside |
| CAS RN | 55033-90-4 |
| Standard InChI | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9?,16?,18-,19+,21?,22?,23-,26?,27-,28-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 1 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL442566 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 3 |
| Liliopsida | 2 |
| eudicotyledons | 1 |
| asterids | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 2 |
| Cactaceae | 1 |
| Urticaceae | 1 |
| Asteraceae | 1 |
| Typhaceae | 1 |
| Poaceae | 1 |
List (7)
* NCBI
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P03372 | Estrogen receptor | NR3A1 | CHEMBL442566 |
CHEMBL1941568
(1)
CHEMBL1941569
(1)
|
1 / 1 |