Hydroxynorcytisine

Details

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Internal ID 5990a67f-5508-47ab-94f8-fa8a1434aeaa
Taxonomy Organoheterocyclic compounds > Pyridodiazepines
IUPAC Name (1S,9S)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
SMILES (Canonical) C1C2CNC1C3=CC=C(C(=O)N3C2)O
SMILES (Isomeric) C1[C@H]2CN[C@@H]1C3=CC=C(C(=O)N3C2)O
InChI InChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m0/s1
InChI Key AFTDVOKQJZAVLI-BQBZGAKWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12N2O2
Molecular Weight 192.21 g/mol
Exact Mass 192.089877630 g/mol
Topological Polar Surface Area (TPSA) 52.60 Ų
XlogP -0.20

Synonyms

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8-Hydroxy-2,3,4,5-tetrahydro-1alpha,4alpha-methanopyrido[1,2-a][1,4]diazepine-7(1H)-one

2D Structure

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2D Structure of Hydroxynorcytisine

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
CHEMBL1978 P11511 Cytochrome P450 19A1 94.78% 91.76%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.57% 97.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.66% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.80% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.60% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.13% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.02% 93.99%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.14% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.46% 99.23%
CHEMBL2581 P07339 Cathepsin D 83.75% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 83.66% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.21% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.87% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.24% 94.45%
CHEMBL1907588 P02708 Acetylcholine receptor; alpha1/beta1/delta/gamma 80.61% 98.33%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.06% 92.94%

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.
Amaranthus spinosus
Laburnum anagyroidis
Piper dilatatum

Cross-Links

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PubChem 25171260
NPASS NPC13467
LOTUS LTS0245913
wikiData Q104911555