(4alpha,5xi,7alpha,13xi,15alpha)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol
Internal ID | c3103c30-cb8d-47ea-be30-ae7a335b8634 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
IUPAC Name | (1S,6S,9S,10S,11R,13S,14S,15S,16R,19S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,22,23-heptol |
SMILES (Canonical) | CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)C(CC7C5(CCC(C7(O6)O)O)C)O)(C)O |
SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@@]([C@@H]3C(CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H](C3O)O)O)[C@@H](CC7[C@@]5(CCC([C@]7(O6)O)O)C)O)(C)O |
InChI | InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13?,14-,15+,16?,17-,18?,19+,20?,21+,22-,23-,24+,25+,26-,27-/m0/s1 |
InChI Key | RNPABQVCNAUEIY-WDJXZMKESA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H43NO8 |
Molecular Weight | 509.60 g/mol |
Exact Mass | 509.29886733 g/mol |
Topological Polar Surface Area (TPSA) | 154.00 Ų |
XlogP | -1.00 |
508-65-6 |
AKOS037623141 |
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 | 95.51% | 96.09% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.44% | 89.05% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.21% | 100.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 92.14% | 96.43% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.99% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.61% | 82.69% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.92% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.37% | 86.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.10% | 96.77% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.32% | 97.14% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.65% | 95.50% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.55% | 86.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.61% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.88% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.85% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.79% | 95.56% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.76% | 95.38% |
CHEMBL238 | Q01959 | Dopamine transporter | 81.10% | 95.88% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.30% | 96.25% |
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.
Salvia nemorosa |
Veratrum dahuricum |
Veratrum lobelianum |
Veratrum taliense |
PubChem | 139292053 |
LOTUS | LTS0136141 |
wikiData | Q104400128 |