Tenuifolin B

Details

• Internal ID: e11be92a-5916-4bf5-a9da-485ec6aa6d73
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids
• IUPAC Name: (1R,4S,6S,9R,10S,11S,13S,15R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,11,15-triol
• SMILES (Canonical): CC1(C2CCC34CC(CC(C3C2(CCC1O)C)O)C(=C)C4O)C
• SMILES (Isomeric): C[C@@]12CC[C@@H](C([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)[C@H]4O)O)(C)C)O
• InChI: InChI=1S/C20H32O3/c1-11-12-9-13(21)16-19(4)7-6-15(22)18(2,3)14(19)5-8-20(16,10-12)17(11)23/h12-17,21-23H,1,5-10H2,2-4H3/t12-,13+,14-,15+,16+,17-,19-,20-/m1/s1
• InChI Key: MQWPDQKLLPDSQK-MJWYYFFNSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₃
• Molecular Weight: 320.50 g/mol
• Exact Mass: 320.23514488 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 2.60

Synonyms

• CHEMBL2334475

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
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	93.81%	82.69%
CHEMBL221	P23219	Cyclooxygenase-1	93.59%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.41%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.92%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.15%	91.11%
CHEMBL1937	Q92769	Histone deacetylase 2	88.60%	94.75%
CHEMBL226	P30542	Adenosine A1 receptor	87.86%	95.93%
CHEMBL1871	P10275	Androgen Receptor	87.22%	96.43%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.50%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.36%	95.89%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.10%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.65%	94.45%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	81.21%	95.58%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.31%	97.25%

Plants that contains it

• Maackia tenuifolia

Cross-Links

• PubChem: 71579049
• LOTUS: LTS0129687
• wikiData: Q105170322