N-Methyl Michellamine B
Internal ID | 57762ccb-bce7-443b-8b21-f8cb74ae5de2 |
Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines |
IUPAC Name | (1R,3R)-5-[3-[4-[(3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol |
SMILES (Canonical) | CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8CC(N(C(C8=C(C=C7O)O)C)C)C)O |
SMILES (Isomeric) | C[C@@H]1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8C[C@H](N([C@@H](C8=C(C=C7O)O)C)C)C)O |
InChI | InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23-,24?,25-/m1/s1 |
InChI Key | BWDHNUUYBZPQFQ-RJIQGDMUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C47H50N2O8 |
Molecular Weight | 770.90 g/mol |
Exact Mass | 770.35671656 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 8.80 |
N-Methyl Michellamine B |
NSC692905 |
NSC-692905 |
![2D Structure of N-Methyl Michellamine B 2D Structure of N-Methyl Michellamine B](https://plantaedb.com/storage/docs/compounds/2023/11/n-methyl-michellamine-b.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.63% | 91.49% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.99% | 95.56% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.85% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.43% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.97% | 85.14% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.44% | 97.31% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.52% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.39% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.97% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.46% | 94.00% |
CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.33% | 91.79% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.43% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 87.73% | 98.75% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.69% | 89.62% |
CHEMBL5747 | Q92793 | CREB-binding protein | 86.25% | 95.12% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.68% | 91.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.92% | 89.50% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.18% | 88.48% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.17% | 99.15% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.02% | 96.21% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.40% | 97.25% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.30% | 95.34% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.92% | 93.40% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.93% | 97.21% |
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.
Ancistrocladus korupensis |
PubChem | 392427 |
LOTUS | LTS0131975 |
wikiData | Q105101678 |