periglaucine B

Details

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Internal ID a2175845-76b6-41b4-8c78-1cbb83761cd3
Taxonomy Alkaloids and derivatives > Hasubanan alkaloids
IUPAC Name (1S,11S,13S,14R,15S)-14,15-dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one
SMILES (Canonical) CN1CCC23C14CC(C5=CC6=C(C=C52)OCO6)OC4(C(C(=O)C3)OC)OC
SMILES (Isomeric) CN1CC[C@@]23[C@]14C[C@@H](C5=CC6=C(C=C52)OCO6)O[C@]4([C@H](C(=O)C3)OC)OC
InChI InChI=1S/C20H23NO6/c1-21-5-4-18-8-13(22)17(23-2)20(24-3)19(18,21)9-16(27-20)11-6-14-15(7-12(11)18)26-10-25-14/h6-7,16-17H,4-5,8-10H2,1-3H3/t16-,17-,18-,19-,20-/m0/s1
InChI Key QJDYNQYLCIPODD-HVTWWXFQSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H23NO6
Molecular Weight 373.40 g/mol
Exact Mass 373.15253745 g/mol
Topological Polar Surface Area (TPSA) 66.50 Ų
XlogP 0.70

Synonyms

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1025023-05-5
(1S,11S,13S,14R,15S)-14,15-Dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-one
CHEBI:66732
HY-N3093
AKOS040762172
CS-0023205
Q27135354
(7,8,10)-8,10-Epoxy-7,8-dimethoxy-17-methyl-2,3-[methylenebis(oxy)]hasubanan-6-one; (+)-Periglaucine B

2D Structure

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2D Structure of periglaucine B

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 99.26% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.76% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.92% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.03% 94.45%
CHEMBL2581 P07339 Cathepsin D 94.74% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.47% 97.25%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.38% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.39% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.83% 95.56%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.17% 93.04%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.02% 86.33%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 84.56% 82.38%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.49% 94.80%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 84.16% 92.38%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.79% 89.00%
CHEMBL344 Q99705 Melanin-concentrating hormone receptor 1 83.69% 92.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.25% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.81% 92.62%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.80% 97.14%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.69% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.36% 90.71%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 82.30% 90.95%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 82.14% 91.03%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 81.88% 94.78%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.41% 85.14%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 80.06% 80.96%

Plants that contains it

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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.
Pericampylus glaucus

Cross-Links

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PubChem 24879470
LOTUS LTS0121057
wikiData Q27135354