Haplodimerine
| Internal ID | 1020b732-0491-46be-90d8-23d5feb2931d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (1S,2S,14R,15S)-4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.02,14.03,12.05,10.018,27.019,24]heptacosa-3,5(10),6,8,11,18(27),19,21,23-nonaen-26-one |
| SMILES (Canonical) | CC1(C2C(C3C2OC4=NC5=C(C=CC(=C5OC)OC)C(=C34)OC)C6=C(O1)C7=CC=CC=C7NC6=O)C |
| SMILES (Isomeric) | CC1([C@H]2[C@H]([C@@H]3[C@H]2OC4=NC5=C(C=CC(=C5OC)OC)C(=C34)OC)C6=C(O1)C7=CC=CC=C7NC6=O)C |
| InChI | InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1 |
| InChI Key | ZTSCGHFGGQONGE-XHFAZCCNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26N2O6 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.17908655 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 3.60 |
| 120931-43-3 |
| C10691 |
| AC1L9DMH |
| CHEBI:5617 |
| DTXSID10332001 |
| (1S,2S,14R,15S)-4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.02,14.03,12.05,10.018,27.019,24]heptacosa-3,5(10),6,8,11,18(27),19,21,23-nonaen-26-one |
| Q27106825 |
| (6aS,6bR,13bS,13cS)-9,10,13-Trimethoxy-6,6-dimethyl-6,6a,6b,13b,13c,15-hexahydro-14H-quinolino[3''',2''':4'',5'']furo[2'',3'':3',4']cyclobuta[1',2':4,5]pyrano[3,2-c]quinolin-14-one |
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.86% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.80% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.49% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.31% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.77% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.37% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.07% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 87.86% | 85.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.47% | 98.59% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.15% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.04% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.04% | 96.39% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.36% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.26% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.79% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.36% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.34% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.31% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.29% | 92.94% |
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.
| Haplophyllum griffithianum |
| PubChem | 442909 |
| LOTUS | LTS0189391 |
| wikiData | Q27106825 |