KNApSAcK Metabolite C00000604
Metabolite
KNApSAcK Entry
| id | C00000604 |
|---|---|
| Name | (-)-Secoisolariciresinol |
| CAS RN | 29388-59-8 |
| Standard InChI | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 21 |
|---|---|
| KCF-S cluster | No. 282 |
Link
ChEMBL
| By standard InChI | CHEMBL368347 |
|---|---|
| By standard InChI Main Layer | CHEMBL368347 |
KEGG
| By LinkDB | C18167 |
|---|
CTD
| By CAS RN | C060283 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 21 |
| rosids | 15 |
| asterids | 8 |
| eudicotyledons | 2 |
| Magnoliophyta | 1 |
| Liliopsida | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Pinaceae | 7 |
| Taxaceae | 7 |
| Cupressaceae | 5 |
| Thymelaeaceae | 4 |
| Oleaceae | 2 |
| Linaceae | 2 |
| Apocynaceae | 2 |
| Asteraceae | 2 |
| Lauraceae | 1 |
| Betulaceae | 1 |
List (49)
* NCBI
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL368347 |
CHEMBL1669910
(1)
|
1 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL368347 |
CHEMBL1669909
(1)
|
0 / 1 |
CTD interaction (1)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C060283 | 8856 |
NR1I2
BXR ONR1 PAR PAR1 PAR2 PARq PRR PXR SAR SXR |
nuclear receptor subfamily 1, group I, member 2 | secoisolariciresinol results in increased activity of NR1I2 protein |
increases activity
|
protein |
15885729
|