Tazettine

Details

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Internal ID c0eeda81-d146-4cb4-8c1b-1396e602315a
Taxonomy Alkaloids and derivatives > Amaryllidaceae alkaloids > Tazettine-type amaryllidaceae alkaloids
IUPAC Name 18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
SMILES (Canonical) CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
SMILES (Isomeric) CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
InChI InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3
InChI Key YLWAQARRNQVEHD-UHFFFAOYSA-N
Popularity 23 references in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO5
Molecular Weight 331.40 g/mol
Exact Mass 331.14197277 g/mol
Topological Polar Surface Area (TPSA) 60.40 Ų
XlogP 1.00

Synonyms

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Sekisanin
Tazetine
Tazettin
Ungernin
Sekisanine
507-79-9
NSC 115495
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
NSC652297
NSC-115495
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Tazettine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.01% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.00% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.92% 96.77%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.37% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.40% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.21% 86.33%
CHEMBL4208 P20618 Proteasome component C5 90.17% 90.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.07% 92.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.95% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.58% 95.89%
CHEMBL2413 P32246 C-C chemokine receptor type 1 85.56% 89.50%
CHEMBL2581 P07339 Cathepsin D 85.23% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.74% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.72% 95.56%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 81.12% 90.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.86% 100.00%

Cross-Links

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PubChem 271607
LOTUS LTS0022942
wikiData Q105350350