CID 3084154

Details

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Internal ID 0dbc872e-b08b-45c5-a7f0-36bd02726710
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name (1S,15S)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12-dien-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3/t12-,15-/m0/s1
InChI Key QVOZBDJFWDSZQW-WFASDCNBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H19NO3
Molecular Weight 261.32 g/mol
Exact Mass 261.13649347 g/mol
Topological Polar Surface Area (TPSA) 38.80 Ų
XlogP 0.20

Synonyms

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AI3-27547
AI 3-27547
7H-Furo(3',4':3,4)pyrido(2,1-i)indol-1(3H)-one, 4,5,8,10,11,12-hexahydro-11-methoxy-, (11S-(11R*,12aR*))-
(1S,15S)-15-Methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12-dien-3-one
DTXSID90159172

2D Structure

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2D Structure of CID 3084154

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 96.81% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.62% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.04% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.05% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.67% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.19% 97.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.04% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.00% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.01% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.84% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.32% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.22% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.09% 97.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.79% 86.33%
CHEMBL321 P14780 Matrix metalloproteinase 9 80.56% 92.12%

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.
Glycyrrhiza inflata
Nephroia orbiculata

Cross-Links

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PubChem 3084154
NPASS NPC115507
LOTUS LTS0071627
wikiData Q83027494