Oleiferin-g

Details

• Internal ID: a8265c63-d9a4-4698-8c20-d2a79662c59e
• Taxonomy: Lignans, neolignans and related compounds > Dibenzylbutane lignans
• IUPAC Name: 4-[(2R,3S,4R)-4-(3,4-dimethoxyphenyl)-4-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol
• SMILES (Canonical): CC(CC1=CC(=C(C=C1)O)OC)C(C)C(C2=CC(=C(C=C2)OC)OC)O
• SMILES (Isomeric): C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)[C@H](C2=CC(=C(C=C2)OC)OC)O
• InChI: InChI=1S/C21H28O5/c1-13(10-15-6-8-17(22)19(11-15)25-4)14(2)21(23)16-7-9-18(24-3)20(12-16)26-5/h6-9,11-14,21-23H,10H2,1-5H3/t13-,14+,21-/m1/s1
• InChI Key: JFLQMRNVZXYTAK-HKZYLEAXSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₈O₅
• Molecular Weight: 360.40 g/mol
• Exact Mass: 360.19367399 g/mol
• Topological Polar Surface Area (TPSA): 68.20 Ų
• XlogP: 4.20

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.12%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	96.38%	90.20%
CHEMBL2581	P07339	Cathepsin D	96.05%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.68%	85.14%
CHEMBL3492	P49721	Proteasome Macropain subunit	94.14%	90.24%
CHEMBL4208	P20618	Proteasome component C5	92.11%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.98%	91.11%
CHEMBL2535	P11166	Glucose transporter	91.35%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.77%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.86%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.85%	94.45%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	86.24%	92.68%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.94%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.94%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.74%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.67%	96.00%

Plants that contains it

• Bicuiba oleifera

Cross-Links

• PubChem: 10760997
• LOTUS: LTS0181169
• wikiData: Q105004381