Yaoundamine A

Details

• Internal ID: 4e6b5900-f7a2-4cdf-ad2d-e3834e3f580d
• Taxonomy: Organoheterocyclic compounds > Isoquinolines and derivatives > Naphthylisoquinolines
• IUPAC Name: (3R)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
• SMILES (Canonical): CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C)O
• SMILES (Isomeric): C[C@@H]1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C)O
• InChI: InChI=1S/C24H25NO4/c1-12-8-17-16(6-7-18(26)22(17)20(9-12)28-4)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,26-27H,10H2,1-5H3/t13-/m1/s1
• InChI Key: YNZRHQDRHHJZQU-CYBMUJFWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₅NO₄
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.17835828 g/mol
• Topological Polar Surface Area (TPSA): 71.30 Ų
• XlogP: 4.50

Synonyms

• NSC692907
• SCHEMBL5547054
• CHEMBL4451177
• NSC-692907

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
CHEMBL1951	P21397	Monoamine oxidase A	98.85%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.27%	91.11%
CHEMBL261	P00915	Carbonic anhydrase I	95.60%	96.76%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.11%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.34%	95.56%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	93.24%	91.79%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	93.10%	96.21%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.97%	99.15%
CHEMBL2243	O00519	Anandamide amidohydrolase	91.77%	97.53%
CHEMBL5747	Q92793	CREB-binding protein	90.95%	95.12%
CHEMBL1163125	O60885	Bromodomain-containing protein 4	90.66%	97.31%
CHEMBL2535	P11166	Glucose transporter	89.26%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.12%	94.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.80%	92.94%
CHEMBL213	P08588	Beta-1 adrenergic receptor	87.28%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.14%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.13%	99.17%
CHEMBL3438	Q05513	Protein kinase C zeta	85.80%	88.48%
CHEMBL2581	P07339	Cathepsin D	85.42%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.71%	89.00%
CHEMBL2056	P21728	Dopamine D1 receptor	84.50%	91.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.74%	95.89%
CHEMBL5903	Q04771	Activin receptor type-1	82.68%	89.93%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	82.29%	96.67%
CHEMBL1907	P15144	Aminopeptidase N	81.55%	93.31%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	81.10%	96.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.39%	94.03%

Plants that contains it

• Ancistrocladus korupensis

Cross-Links

• PubChem: 392429
• LOTUS: LTS0115703
• wikiData: Q105351187