KNApSAcK Metabolite C00012947
Metabolite
KNApSAcK Entry
| id | C00012947 |
|---|---|
| Name | Graveolide / (+)-Graveolide / 2,3-Dihydroaromaticin / [3aR-(3aalpha,4abeta,7aalpha,8alpha,9abeta)]-Decahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione |
| CAS RN | 72173-44-5 |
| Standard InChI | InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 340 |
Link
ChEMBL
| By standard InChI | CHEMBL1911138 |
|---|---|
| By standard InChI Main Layer | CHEMBL359555 CHEMBL1911138 CHEMBL1911140 |
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 |
|---|---|---|---|---|
| Dittrichia graveolens (L.) GREUTER | 56524 | Asteraceae | asterids | Viridiplantae |
| Inula graveolens | 41589 | Asteraceae | asterids | Viridiplantae |
| Telekia speciosa | 56539 | 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 | CHEMBL359555 |
CHEMBL828644
(1)
CHEMBL861583
(1)
|
0 / 0 |
| Q00653 | Nuclear factor NF-kappa-B p100 subunit | Transcription Factor | CHEMBL359555 |
CHEMBL828644
(1)
|
0 / 0 |
| P19838 | Nuclear factor NF-kappa-B p105 subunit | Transcription Factor | CHEMBL359555 |
CHEMBL828644
(1)
|
0 / 0 |