Neoacrimarine H
Internal ID | 38f5224a-72c6-444c-ac1c-5703b32768f7 |
Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
IUPAC Name | 6-hydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C |
SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C |
InChI | InChI=1S/C33H29NO8/c1-32(2)14-13-17-22(41-32)15-19(35)24-27(17)34(5)26-18(28(24)37)7-6-8-21(26)39-30-25-20(42-33(3,4)31(30)38)11-9-16-10-12-23(36)40-29(16)25/h6-15,30-31,35,38H,1-5H3 |
InChI Key | KYDGDSAPWLVOME-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H29NO8 |
Molecular Weight | 567.60 g/mol |
Exact Mass | 567.18931688 g/mol |
Topological Polar Surface Area (TPSA) | 115.00 Ų |
XlogP | 5.50 |
(+)-Neoacrimarine-H |
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 | 99.26% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.37% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.52% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.19% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.09% | 99.23% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.56% | 95.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.98% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.32% | 94.45% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.75% | 93.99% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.43% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.53% | 99.15% |
CHEMBL2535 | P11166 | Glucose transporter | 87.46% | 98.75% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.98% | 97.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.45% | 93.10% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.94% | 80.78% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.06% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.92% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.50% | 94.75% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.27% | 96.77% |
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.
Citrus × aurantium |
PubChem | 10507216 |
LOTUS | LTS0272504 |
wikiData | Q105147666 |