KNApSAcK Metabolite C00022872
Metabolite
KNApSAcK Entry
| id | C00022872 |
|---|---|
| Name | Lutein B / 3'-Epilutein / Calthaxanthin / (3R,3'S,6'R)-beta,epsilon-Carotene-3,3'-diol |
| CAS RN | 52842-48-5 |
| Standard InChI | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3 |
Cluster
| Phytochemical cluster | No. 59 |
|---|---|
| KCF-S cluster | No. 26 |
Link
ChEMBL
| By standard InChI | CHEMBL172477 |
|---|---|
| By standard InChI Main Layer | CHEMBL173929 CHEMBL172477 CHEMBL1559643 CHEMBL1979448 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 2 |
| rosids | 2 |
Family
| family name | count |
|---|---|
| Siluridae | 2 |
| Rosaceae | 2 |
| Ranunculaceae | 1 |
| Paeoniaceae | 1 |
List (6)
* NCBI
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1559643 |
CHEMBL1794311
(1)
|
2 / 3 |
| O75496 | Geminin | Unclassified protein | CHEMBL1559643 |
CHEMBL2114843
(1)
CHEMBL2114780
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1559643 |
CHEMBL1794467
(1)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL1559643 |
CHEMBL1738442
(1)
|
0 / 0 |