O-methylandrocymbine
Internal ID | 424f09c3-1ab5-49ee-b314-7b6c7f78602d |
Taxonomy | Alkaloids and derivatives > Androcymbine alkaloids |
IUPAC Name | (1R,10S)-3,4,5,14-tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one |
SMILES (Canonical) | CN1CCC23C=C(C(=O)C=C2C1CCC4=CC(=C(C(=C34)OC)OC)OC)OC |
SMILES (Isomeric) | CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CCC4=CC(=C(C(=C34)OC)OC)OC)OC |
InChI | InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1 |
InChI Key | AYPIIWGCGUQVNZ-OYHNWAKOSA-N |
Popularity | 2 references in papers |
Molecular Formula | C22H27NO5 |
Molecular Weight | 385.50 g/mol |
Exact Mass | 385.18892296 g/mol |
Topological Polar Surface Area (TPSA) | 57.20 Ų |
XlogP | 2.60 |
CHEBI:80674 |
CHEMBL2032098 |
Q27149716 |
(1R,10S)-3,4,5,14-tetramethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one |
![2D Structure of O-methylandrocymbine 2D Structure of O-methylandrocymbine](https://plantaedb.com/storage/docs/compounds/2023/11/o-methylandrocymbine.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 | 98.78% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.84% | 95.56% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.71% | 96.77% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.46% | 93.99% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.80% | 91.03% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.78% | 93.40% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.47% | 99.18% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.60% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.27% | 85.14% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 90.22% | 96.86% |
CHEMBL2535 | P11166 | Glucose transporter | 89.46% | 98.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.08% | 86.33% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 88.32% | 95.62% |
CHEMBL2581 | P07339 | Cathepsin D | 87.29% | 98.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.58% | 95.89% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.47% | 90.24% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.13% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.63% | 94.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.28% | 96.43% |
CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 85.14% | 98.00% |
CHEMBL3820 | P35557 | Hexokinase type IV | 84.79% | 91.96% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.77% | 94.78% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.42% | 100.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.27% | 97.05% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.16% | 92.38% |
CHEMBL5747 | Q92793 | CREB-binding protein | 83.72% | 95.12% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.70% | 97.14% |
CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.53% | 82.38% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.18% | 91.07% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.80% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.46% | 91.11% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.63% | 93.04% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.62% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.69% | 92.94% |
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.
Colchicum ritchiei |
Colchicum schimperi |
Colchicum szovitsii |
PubChem | 15286666 |
LOTUS | LTS0177684 |
wikiData | Q27149716 |