KNApSAcK Metabolite C00013223
Metabolite
KNApSAcK Entry
| id | C00013223 |
|---|---|
| Name | Douglanin / Douglanine / [3aS-(3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one |
| CAS RN | 16886-36-5 |
| Standard InChI | InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11-,12+,13-,15-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 69 |
Link
ChEMBL
| By standard InChI | CHEMBL366059 |
|---|---|
| By standard InChI Main Layer | CHEMBL89311 CHEMBL366059 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 3 |
Family
| family name | count |
|---|---|
| Asteraceae | 3 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Anthemis carpatica | 158218 | Asteraceae | asterids | Viridiplantae |
| Anthemis melampodina | 158224 | Asteraceae | asterids | Viridiplantae |
| Artemisia douglasiana | 1227621 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q04206 | Transcription factor p65 | Transcription Factor | CHEMBL89311 CHEMBL366059 |
CHEMBL828644
(2)
CHEMBL861583
(2)
|
0 / 0 |
| Q00653 | Nuclear factor NF-kappa-B p100 subunit | Transcription Factor | CHEMBL89311 CHEMBL366059 |
CHEMBL828644
(2)
|
0 / 0 |
| P19838 | Nuclear factor NF-kappa-B p105 subunit | Transcription Factor | CHEMBL89311 CHEMBL366059 |
CHEMBL828644
(2)
|
0 / 0 |