KNApSAcK Metabolite C00001811
Metabolite
KNApSAcK Entry
| id | C00001811 |
|---|---|
| Name | (+)-Aromoline |
| CAS RN | 519-53-9 |
| Standard InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 10 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL504525 CHEMBL508781 |
KEGG
| By LinkDB | C06514 |
|---|
CTD
| By CAS RN | C066341 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Magnoliophyta | 1 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Atherospermataceae | 1 |
| Ranunculaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Daphnandra aromatica | 74880 | Atherospermataceae | Magnoliophyta | Viridiplantae |
| Thalictrum thunbergii | 581030 | Ranunculaceae | eudicotyledons | Viridiplantae |
Human Protein / Gene in interaction
6 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL504525 |
CHEMBL1741321
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL504525 |
CHEMBL1741325
(1)
|
0 / 1 |
| O15296 | Arachidonate 15-lipoxygenase B | Enzyme | CHEMBL504525 |
CHEMBL1613800
(1)
|
0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL504525 |
CHEMBL1741322
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL504525 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL504525 |
CHEMBL1741324
(1)
|
0 / 1 |