Teuvincenone E

Details

• Internal ID: 46899bbb-8ffb-4ad2-ac37-a209881c9ebf
• Taxonomy: Benzenoids > Phenanthrenes and derivatives
• IUPAC Name: (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-8,9-dihydro-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
• SMILES (Canonical): CC1CC2=C(C3=C(C(=C2O1)O)C4(CC(=O)C(=C(C4=CC3=O)C)C)C)O
• SMILES (Isomeric): CC1CC2=C(C3=C(C(=C2O1)O)[C@]4(CC(=O)C(=C(C4=CC3=O)C)C)C)O
• InChI: InChI=1S/C20H20O5/c1-8-5-11-17(23)15-13(21)6-12-9(2)10(3)14(22)7-20(12,4)16(15)18(24)19(11)25-8/h6,8,23-24H,5,7H2,1-4H3/t8?,20-/m0/s1
• InChI Key: CEFJBQPEKNGIIU-YTPZWRSRSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.13107373 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 2.70

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.42%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.31%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.59%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.00%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	90.22%	86.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.21%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.01%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.76%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.54%	85.14%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	84.46%	96.77%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.20%	85.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.75%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.59%	97.25%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.53%	94.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.38%	93.40%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.95%	90.71%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.43%	93.04%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.01%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.91%	95.89%

Plants that contains it

• Aegiphila lhotskiana
• Teucrium fruticans

Cross-Links

• PubChem: 132556482
• LOTUS: LTS0127195
• wikiData: Q104399935