7alpha-Hydroxysophoramine

Details

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Internal ID 05027b31-37b8-4c6f-b584-975eddb8b914
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines
IUPAC Name (1R,9S,17S)-1-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
SMILES (Canonical) C1CC2CN3C(=O)C=CC=C3C4(C2N(C1)CCC4)O
SMILES (Isomeric) C1C[C@H]2CN3C(=O)C=CC=C3[C@@]4([C@H]2N(C1)CCC4)O
InChI InChI=1S/C15H20N2O2/c18-13-6-1-5-12-15(19)7-3-9-16-8-2-4-11(14(15)16)10-17(12)13/h1,5-6,11,14,19H,2-4,7-10H2/t11-,14-,15-/m0/s1
InChI Key NQNMKNJFVDSBHZ-CQDKDKBSSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20N2O2
Molecular Weight 260.33 g/mol
Exact Mass 260.152477885 g/mol
Topological Polar Surface Area (TPSA) 43.80 Ų
XlogP 0.50

Synonyms

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(1R,9S,17S)-1-Hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one

2D Structure

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2D Structure of 7alpha-Hydroxysophoramine

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 94.03% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.83% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.22% 95.56%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.87% 93.03%
CHEMBL238 Q01959 Dopamine transporter 88.69% 95.88%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 88.66% 82.69%
CHEMBL4235 P28845 11-beta-hydroxysteroid dehydrogenase 1 87.53% 97.98%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.08% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.35% 97.09%
CHEMBL5805 Q9NR97 Toll-like receptor 8 85.23% 96.25%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.84% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.56% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.53% 95.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.76% 96.09%
CHEMBL3012 Q13946 Phosphodiesterase 7A 82.44% 99.29%
CHEMBL1937 Q92769 Histone deacetylase 2 82.31% 94.75%

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.
Sophora alopecuroides

Cross-Links

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PubChem 10777749
LOTUS LTS0071179
wikiData Q104888255