14,15-Didehydro-12-methoxyvincamine
Internal ID | abc375c1-89f3-4805-97c2-42d71d492342 |
Taxonomy | Alkaloids and derivatives > Eburnan-type alkaloids |
IUPAC Name | methyl (15R,17S,19S)-15-ethyl-17-hydroxy-3-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),13-pentaene-17-carboxylate |
SMILES (Canonical) | CCC12CC(N3C4=C(CCN(C41)CC=C2)C5=C3C(=CC=C5)OC)(C(=O)OC)O |
SMILES (Isomeric) | CC[C@]12C[C@@](N3C4=C(CCN([C@H]41)CC=C2)C5=C3C(=CC=C5)OC)(C(=O)OC)O |
InChI | InChI=1S/C22H26N2O4/c1-4-21-10-6-11-23-12-9-15-14-7-5-8-16(27-2)17(14)24(18(15)19(21)23)22(26,13-21)20(25)28-3/h5-8,10,19,26H,4,9,11-13H2,1-3H3/t19-,21+,22+/m1/s1 |
InChI Key | HXLJZBYCWRILKD-HJNYFJLDSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26N2O4 |
Molecular Weight | 382.50 g/mol |
Exact Mass | 382.18925731 g/mol |
Topological Polar Surface Area (TPSA) | 63.90 Ų |
XlogP | 2.70 |
14,15-Didehydro-12-methoxyvincamine |
17,18-Didehydro-12-methoxyvincamine |
DTXSID20962530 |
Methyl 14-hydroxy-12-methoxy-17,18-didehydro-14,15-dihydroeburnamenine-14-carboxylate |
![2D Structure of 14,15-Didehydro-12-methoxyvincamine 2D Structure of 14,15-Didehydro-12-methoxyvincamine](https://plantaedb.com/storage/docs/compounds/2023/11/1415-didehydro-12-methoxyvincamine.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.29% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.28% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.25% | 95.56% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.25% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 93.99% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 93.50% | 98.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.08% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.93% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.60% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.77% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.72% | 97.25% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.59% | 95.83% |
CHEMBL5028 | O14672 | ADAM10 | 85.27% | 97.50% |
CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.81% | 85.83% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.13% | 95.89% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.06% | 89.62% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.60% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.35% | 89.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 82.17% | 90.20% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.65% | 91.19% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.42% | 97.14% |
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.
Crioceras dipladeniiflorus |
Hunteria umbellata |
PubChem | 181142 |
LOTUS | LTS0076218 |
wikiData | Q82944227 |