4,14-Dihydroxy-13-(hydroxymethyl)-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Internal ID | d6bad10a-d8b6-42ae-9763-dcf628389d59 |
Taxonomy | Alkaloids and derivatives > Aristolactams |
IUPAC Name | 4,14-dihydroxy-13-(hydroxymethyl)-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
SMILES (Canonical) | COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)CO)O |
SMILES (Isomeric) | COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)CO)O |
InChI | InChI=1S/C17H13NO5/c1-23-16-12-9-5-8(20)3-2-7(9)4-11-14(12)13(17(22)18-11)10(6-19)15(16)21/h2-5,19-21H,6H2,1H3,(H,18,22) |
InChI Key | OPLABVRZSBPKCL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H13NO5 |
Molecular Weight | 311.29 g/mol |
Exact Mass | 311.07937252 g/mol |
Topological Polar Surface Area (TPSA) | 99.00 Ų |
XlogP | 2.30 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.54% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.81% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.45% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.08% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 92.53% | 98.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.19% | 94.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.90% | 86.33% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.97% | 93.99% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.69% | 91.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.62% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.38% | 90.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.80% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.00% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.59% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.83% | 86.92% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.41% | 99.23% |
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.
Aristolochia kaempferi |
Aristolochia mollissima |
PubChem | 10757387 |
LOTUS | LTS0211602 |
wikiData | Q105196416 |