19Z-16-epi-Voacarpine
Internal ID | 9776fa98-9eb3-493e-887f-987ea5220545 |
Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
IUPAC Name | methyl (1R,12S,13R,14S,15Z)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate |
SMILES (Canonical) | CC=C1CN2C3CC4=C(C2(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45 |
SMILES (Isomeric) | C/C=C/1\CN2[C@H]3CC4=C([C@@]2(C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45 |
InChI | InChI=1S/C21H24N2O4/c1-3-12-10-23-17-8-14-13-6-4-5-7-16(13)22-18(14)21(23,26)9-15(12)20(17,11-24)19(25)27-2/h3-7,15,17,22,24,26H,8-11H2,1-2H3/b12-3+/t15-,17-,20+,21+/m0/s1 |
InChI Key | ZROBSNVANUBAJZ-LKQNBLBNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H24N2O4 |
Molecular Weight | 368.40 g/mol |
Exact Mass | 368.17360725 g/mol |
Topological Polar Surface Area (TPSA) | 85.80 Ų |
XlogP | 0.70 |
There are no found synonyms. |
![2D Structure of 19Z-16-epi-Voacarpine 2D Structure of 19Z-16-epi-Voacarpine](https://plantaedb.com/storage/docs/compounds/2023/11/19z-16-epi-voacarpine.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.98% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.76% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.04% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 96.00% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.78% | 85.14% |
CHEMBL5028 | O14672 | ADAM10 | 88.35% | 97.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.09% | 97.09% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 87.78% | 98.59% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.53% | 89.00% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.53% | 88.56% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.41% | 97.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.89% | 99.23% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.39% | 90.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 80.41% | 98.75% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.05% | 93.99% |
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.
Gelsemium elegans |
Gelsemium sempervirens |
PubChem | 163184361 |
LOTUS | LTS0160098 |
wikiData | Q105382114 |