(1S,10S)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
Internal ID | f8240340-eca4-4e69-a4a2-acec29d70935 |
Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
IUPAC Name | (1S,10S)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one |
SMILES (Canonical) | COC1=C(C=C2C(=C1)CCC34C2(CCN3)CC(=O)C(=C4OC)OC)OC |
SMILES (Isomeric) | COC1=C(C=C2C(=C1)CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)OC |
InChI | InChI=1S/C20H25NO5/c1-23-15-9-12-5-6-20-18(26-4)17(25-3)14(22)11-19(20,7-8-21-20)13(12)10-16(15)24-2/h9-10,21H,5-8,11H2,1-4H3/t19-,20+/m0/s1 |
InChI Key | KZQZFTIBTGHKGT-VQTJNVASSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H25NO5 |
Molecular Weight | 359.40 g/mol |
Exact Mass | 359.17327290 g/mol |
Topological Polar Surface Area (TPSA) | 66.00 Ų |
XlogP | 1.60 |
There are no found synonyms. |
![2D Structure of (1S,10S)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one 2D Structure of (1S,10S)-4,5,11,12-tetramethoxy-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s10s-451112-tetramethoxy-17-azatetracyclo8430110027heptadeca-24611-tetraen-13-one.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 |
---|---|---|---|---|
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.80% | 94.75% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.27% | 93.99% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.78% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.33% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 91.49% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.71% | 86.33% |
CHEMBL2535 | P11166 | Glucose transporter | 89.72% | 98.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.05% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.72% | 93.04% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.55% | 97.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.89% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.50% | 90.00% |
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.
Stephania suberosa |
PubChem | 163078338 |
LOTUS | LTS0037618 |
wikiData | Q105148401 |