Cherianoine

Details

• Internal ID: d0c64ea9-a218-4ce0-a226-91b1ced05a3d
• Taxonomy: Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives
• IUPAC Name: 7-hydroxy-6,8-dimethoxy-2-methylisoquinolin-1-one
• SMILES (Canonical): CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC
• SMILES (Isomeric): CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC
• InChI: InChI=1S/C12H13NO4/c1-13-5-4-7-6-8(16-2)10(14)11(17-3)9(7)12(13)15/h4-6,14H,1-3H3
• InChI Key: OJLLODMRNXRZIT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₃NO₄
• Molecular Weight: 235.24 g/mol
• Exact Mass: 235.08445790 g/mol
• Topological Polar Surface Area (TPSA): 59.00 Ų
• XlogP: 1.10

Synonyms

There are no found synonyms.

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.06%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.29%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.02%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.40%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.57%	85.14%
CHEMBL2581	P07339	Cathepsin D	89.48%	98.95%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	88.88%	94.42%
CHEMBL4208	P20618	Proteasome component C5	88.65%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.33%	99.15%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	85.23%	80.78%
CHEMBL2535	P11166	Glucose transporter	82.02%	98.75%

Plants that contains it

• Alstonia angustiloba
• Amphiachyris dracunculoides
• Annona cherimola
• Baccharis grandicapitulata
• Beesia calthifolia
• Boschniakia rossica
• Botrychium ternatum
• Bursera kerberi
• Clerodendrum trichotomum
• Clinacanthus nutans
• Crotalaria stolzii
• Curcuma aeruginosa
• Delphinium giraldii
• Eucalyptus albens
• Euonymus fortunei
• Euploca racemosa
• Hedysarum gmelinii
• Helenium integrifolium
• Juniperus scopulorum
• Lasianthaea podocephala
• Lupinus cosentinii
• Melampodium leucanthum
• Myrica pensylvanica
• Neopallasia pectinata
• Papaver pseudocanescens
• Pellacalyx axillaris
• Peperomia filiformis
• Phlomis crinita
• Psidium acutangulum
• Pyrolirion flavum
• Renealmia alpinia
• Rhododendron mucronulatum
• Seseli libanotis
• Sideritis dasygnaphala
• Stellaria media
• Tephroseris kirilowii
• Tephroseris palustris

Cross-Links

• PubChem: 5315819
• NPASS: NPC116349
• LOTUS: LTS0215879
• wikiData: Q105193145