Oxoassoanine

Details

• Internal ID: 968c4002-ffed-4745-9c46-0f405038fbfe
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
• IUPAC Name: 4,5-dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,12(16),13-hexaen-8-one
• SMILES (Canonical): COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)CC4)OC
• SMILES (Isomeric): COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)CC4)OC
• InChI: InChI=1S/C17H15NO3/c1-20-14-8-12-11-5-3-4-10-6-7-18(16(10)11)17(19)13(12)9-15(14)21-2/h3-5,8-9H,6-7H2,1-2H3
• InChI Key: PENHARRUWVHIOQ-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₅NO₃
• Molecular Weight: 281.30 g/mol
• Exact Mass: 281.10519334 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 2.60

Synonyms

• Dihydropratosine
• MLS000756618
• 65367-74-0
• NSC276736
• AC1L85AW
• CHEMBL4296894
• SCHEMBL21578332
• CHEBI:31948
• DTXSID80313766
• PENHARRUWVHIOQ-UHFFFAOYSA-N
• ZINC00900951
• NSC-276736
• SMR000528826
• 4,5-Ethylene-8,9-dimethoxy-6-phenanthridone
• Q27114731
• 9,10-Dimethoxy-1,2,3,12,15,16-hexadehydrogalanthan-7-one #

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.87%	95.56%
CHEMBL2581	P07339	Cathepsin D	95.88%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.06%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.04%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.13%	85.14%
CHEMBL2535	P11166	Glucose transporter	89.83%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.25%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.09%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.73%	93.99%
CHEMBL2056	P21728	Dopamine D1 receptor	87.26%	91.00%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	86.84%	92.38%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.75%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.12%	89.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.36%	93.40%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	83.12%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.77%	97.14%
CHEMBL4208	P20618	Proteasome component C5	81.53%	90.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.35%	92.94%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.14%	99.23%

Plants that contains it

• Crinum latifolium
• Narcissus assoanus
• Narcissus jacetanus

Cross-Links

• PubChem: 321919
• LOTUS: LTS0083773
• wikiData: Q27114731