Thermopsine perchlorate

Details

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Internal ID ccb55556-502e-4986-b3b4-8e5d175610f7
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Anagyrine-type alkaloids
IUPAC Name (10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
SMILES (Canonical) C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
SMILES (Isomeric) C1CCN2CC3CC([C@@H]2C1)CN4C3=CC=CC4=O
InChI InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m0/s1
InChI Key FQEQMASDZFXSJI-BPCQOVAHSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20N2O
Molecular Weight 244.33 g/mol
Exact Mass 244.157563266 g/mol
Topological Polar Surface Area (TPSA) 23.60 Ų
XlogP 1.60

Synonyms

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THERMOPSINE PERCHLORATE
Thermospine
NSC21725
Spectrum2_001627
Spectrum4_001842
Spectrum5_000344
KBioGR_002244
SPBio_001693
SDCCGMLS-0066774.P001
Q27108426
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Thermopsine perchlorate

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
CHEMBL2581 P07339 Cathepsin D 93.93% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.60% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.44% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 91.26% 93.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.31% 93.99%
CHEMBL5805 Q9NR97 Toll-like receptor 8 87.77% 96.25%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.22% 82.69%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 86.62% 93.04%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.34% 93.40%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.96% 97.25%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 85.81% 97.98%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.08% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.56% 99.23%
CHEMBL238 Q01959 Dopamine transporter 83.71% 95.88%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.65% 99.18%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.29% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.80% 93.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.84% 96.09%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 80.83% 94.23%
CHEMBL3012 Q13946 Phosphodiesterase 7A 80.82% 99.29%
CHEMBL1907588 P02708 Acetylcholine receptor; alpha1/beta1/delta/gamma 80.12% 98.33%

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.
Baptisia australis
Castilleja attenuata
Dichilus strictus
Genista carinalis
Genista tinctoria
Laburnum alpinum
Laburnum anagyroidis
Lupinus argenteus
Oxytropis ochrocephala
Platycelyphium voense

Cross-Links

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PubChem 228640
LOTUS LTS0069032
wikiData Q27108426