6-Amino-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8(12)-dien-9-ol
Internal ID | a4c84c5b-0a41-4411-b55c-331f066040bd |
Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydropyrimidines |
IUPAC Name | 6-amino-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8(12)-dien-9-ol |
SMILES (Canonical) | CCCCC1(C(CC2CCC3C2=C1NC(=N3)N)C)O |
SMILES (Isomeric) | CCCCC1(C(CC2CCC3C2=C1NC(=N3)N)C)O |
InChI | InChI=1S/C15H25N3O/c1-3-4-7-15(19)9(2)8-10-5-6-11-12(10)13(15)18-14(16)17-11/h9-11,19H,3-8H2,1-2H3,(H3,16,17,18) |
InChI Key | MWWUQVKAMRPUDE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H25N3O |
Molecular Weight | 263.38 g/mol |
Exact Mass | 263.199762429 g/mol |
Topological Polar Surface Area (TPSA) | 70.60 Ų |
XlogP | 0.90 |
There are no found synonyms. |
![2D Structure of 6-Amino-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8(12)-dien-9-ol 2D Structure of 6-Amino-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8(12)-dien-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6-amino-9-butyl-10-methyl-57-diazatricyclo6310412dodeca-5812-dien-9-ol.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 |
---|---|---|---|---|
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.50% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.19% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.44% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.33% | 90.17% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.68% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.17% | 92.86% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.21% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.96% | 91.11% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.77% | 100.00% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.73% | 90.24% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.09% | 100.00% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.17% | 96.90% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.54% | 95.89% |
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.
Ceanothus sanguineus |
Condalia buxifolia |
Discaria americana |
Melochia corchorifolia |
Waltheria communis |
PubChem | 85177669 |
LOTUS | LTS0166224 |
wikiData | Q105178516 |