(-)-Chimonanthine
| Internal ID | f6fc9c1b-630f-4e9d-8b1d-b45162be28ac |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole |
| SMILES (Canonical) | CN1CCC2(C1NC3=CC=CC=C32)C45CCN(C4NC6=CC=CC=C56)C |
| SMILES (Isomeric) | CN1CCC2(C1NC3=CC=CC=C32)C45CCN(C4NC6=CC=CC=C56)C |
| InChI | InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3 |
| InChI Key | HOYXPMHLHJOGHD-UHFFFAOYSA-N |
| Popularity | 15 references in papers |
| Molecular Formula | C22H26N4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21574685 g/mol |
| Topological Polar Surface Area (TPSA) | 30.50 Ų |
| XlogP | 3.90 |
| 3-methyl-8b-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole |
| L-Chimonanthine |
| 1-Demethyl-Calycanthidine |
| CHEBI:38955 |
| HOYXPMHLHJOGHD-UHFFFAOYSA-N |
| FT-0775736 |
| Q27118052 |
| 1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole |
| 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 | 97.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.17% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.92% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.63% | 94.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.39% | 95.88% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.40% | 96.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.24% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.18% | 92.97% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.91% | 96.39% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.47% | 93.40% |
| CHEMBL5028 | O14672 | ADAM10 | 81.32% | 97.50% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.18% | 90.71% |
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.
| Chimonanthus praecox |
| Eumachia forsteriana |
| Eumachia lyciiflora |
| Palicourea semirasa |
| PubChem | 599086 |
| LOTUS | LTS0240687 |
| wikiData | Q27118052 |