8-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one

Details

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Internal ID 3c9529ac-b4b6-4ed6-b0dc-c7cfbc25d120
Taxonomy Alkaloids and derivatives > Indolonaphthyridine alkaloids
IUPAC Name 8-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one
SMILES (Canonical) C1CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4O
SMILES (Isomeric) C1CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4O
InChI InChI=1S/C14H10N2O2/c17-11-7-15-9-5-6-12(18)16-10-4-2-1-3-8(10)13(11)14(9)16/h1-4,7,17H,5-6H2
InChI Key BFQMUVXDFIJSPW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10N2O2
Molecular Weight 238.24 g/mol
Exact Mass 238.074227566 g/mol
Topological Polar Surface Area (TPSA) 55.10 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.00% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 96.80% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 95.10% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.07% 99.23%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 88.99% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.65% 89.00%
CHEMBL2535 P11166 Glucose transporter 88.05% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.19% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.41% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.71% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.38% 91.11%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.51% 93.65%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 84.19% 93.10%
CHEMBL2581 P07339 Cathepsin D 84.05% 98.95%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 82.58% 97.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.33% 99.15%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 81.98% 88.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.76% 94.62%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 81.18% 92.67%
CHEMBL3384 Q16512 Protein kinase N1 80.97% 80.71%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.79% 96.67%

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.
Eurycoma longifolia

Cross-Links

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PubChem 162873419
LOTUS LTS0179188
wikiData Q104934723