2-[13-(Hydroxymethyl)-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-15-ylidene]ethanol
| Internal ID | 5f9bd44d-be89-4f11-974f-10270f89168d |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | 2-[13-(hydroxymethyl)-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-15-ylidene]ethanol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)NC3=C2CC4C(C5CC3N4CC5=CCO)CO |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)NC3=C2CC4C(C5CC3N4CC5=CCO)CO |
| InChI | InChI=1S/C20H24N2O3/c1-25-12-2-3-17-14(6-12)15-8-18-16(10-24)13-7-19(20(15)21-17)22(18)9-11(13)4-5-23/h2-4,6,13,16,18-19,21,23-24H,5,7-10H2,1H3 |
| InChI Key | QFPGFMYTUFWRIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 68.70 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 2-[13-(Hydroxymethyl)-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-15-ylidene]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/f32b2c10-8539-11ee-b9f1-c1cf9dbf0b89.jpg "2D Structure of 2-[13-(Hydroxymethyl)-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-15-ylidene]ethanol")
| 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 | 98.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.23% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.78% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.66% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.73% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.64% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.74% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.43% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.78% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.19% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.08% | 93.31% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.89% | 95.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.04% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.92% | 91.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.71% | 88.48% |
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.
| Rauvolfia biauriculata |
| Rauvolfia sprucei |
| PubChem | 163105641 |
| LOTUS | LTS0228509 |
| wikiData | Q105219703 |