Adlumidiceine
Internal ID | 1aec7990-12e8-4f1d-8c7e-31306edb53f1 |
Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
IUPAC Name | 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid |
SMILES (Canonical) | CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C4=C(C=C3)OCO4)C(=O)O)OCO2 |
SMILES (Isomeric) | CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C4=C(C=C3)OCO4)C(=O)O)OCO2 |
InChI | InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25) |
InChI Key | ZWRGIDKDYJXLHP-UHFFFAOYSA-N |
Popularity | 10 references in papers |
Molecular Formula | C21H21NO7 |
Molecular Weight | 399.40 g/mol |
Exact Mass | 399.13180201 g/mol |
Topological Polar Surface Area (TPSA) | 94.50 Ų |
XlogP | 0.40 |
5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid |
CHEBI:189816 |
DTXSID201116294 |
5-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid, 9CI |
51059-65-5 |
![2D Structure of Adlumidiceine 2D Structure of Adlumidiceine](https://plantaedb.com/storage/docs/compounds/2023/11/adlumidiceine.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.85% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.78% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.60% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.04% | 90.00% |
CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.81% | 87.67% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.99% | 94.45% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.30% | 90.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.73% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Capnoides sempervirens |
Corydalis cava |
Fumaria capreolata |
Fumaria parviflora |
Fumaria vaillantii |
PubChem | 12866383 |
LOTUS | LTS0133978 |
wikiData | Q104392534 |