(1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide
Internal ID | c192146f-f26e-4dbb-93a7-ae567df18c7b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
IUPAC Name | (1S,6S)-6-(1,3-benzodioxol-5-yl)-3-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclohex-3-ene-1-carboxamide |
SMILES (Canonical) | CC(C)CNC(=O)C1CC(=CCC1C2=CC3=C(C=C2)OCO3)CCC=C(C)C |
SMILES (Isomeric) | CC(C)CNC(=O)[C@H]1CC(=CC[C@@H]1C2=CC3=C(C=C2)OCO3)CCC=C(C)C |
InChI | InChI=1S/C24H33NO3/c1-16(2)6-5-7-18-8-10-20(21(12-18)24(26)25-14-17(3)4)19-9-11-22-23(13-19)28-15-27-22/h6,8-9,11,13,17,20-21H,5,7,10,12,14-15H2,1-4H3,(H,25,26)/t20-,21+/m1/s1 |
InChI Key | HCTXZDQPRLPYOB-RTWAWAEBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H33NO3 |
Molecular Weight | 383.50 g/mol |
Exact Mass | 383.24604391 g/mol |
Topological Polar Surface Area (TPSA) | 47.60 Ų |
XlogP | 5.30 |
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 | 99.32% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.72% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.66% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.14% | 85.14% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.63% | 90.71% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.72% | 96.77% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.58% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.15% | 94.80% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.08% | 92.62% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.59% | 90.00% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.50% | 80.96% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.19% | 89.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.94% | 91.19% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 83.84% | 98.59% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.19% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 81.88% | 98.75% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.25% | 95.89% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.08% | 89.34% |
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.
Zanthoxylum heitzii |
PubChem | 162875485 |
LOTUS | LTS0247113 |
wikiData | Q105025990 |