KNApSAcK Metabolite C00000804
Metabolite
KNApSAcK Entry
| id | C00000804 |
|---|---|
| Name | (-)-3-Isothujone / (-)-alpha-Thujone |
| CAS RN | 546-80-5 |
| Standard InChI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 35 |
|---|---|
| KCF-S cluster | No. 1161 |
Link
ChEMBL
| By standard InChI | CHEMBL1444078 |
|---|---|
| By standard InChI Main Layer | CHEMBL1444078 |
KEGG
| By LinkDB | C09906 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 3 |
| eudicotyledons | 1 |
| Spermatophyta | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 2 |
| Lamiaceae | 1 |
| Amaranthaceae | 1 |
| Cupressaceae | 1 |
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Artemisia absinthium | 72332 | Asteraceae | asterids | Viridiplantae |
| Chenopodium ambrosioides | 330163 | Amaranthaceae | eudicotyledons | Viridiplantae |
| Salvia officinalis | 38868 | Lamiaceae | asterids | Viridiplantae |
| Tanacetum vulgare | 128002 | Asteraceae | asterids | Viridiplantae |
| Thuja plicata | 3316 | Cupressaceae | Spermatophyta | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1444078 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1444078 |
CHEMBL1794401
(1)
|
0 / 0 |