Knightol

Details

• Internal ID: 1a82dcc3-5298-4f2e-ad86-22ab4d545b4f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids
• IUPAC Name: [(1R,4E,7S,10E,14R)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methanol
• InChI: InChI=1S/C20H32O2/c1-15(2)18-10-7-16(3)6-5-13-20(4)19(22-20)12-9-17(14-21)8-11-18/h6,8,18-19,21H,1,5,7,9-14H2,2-4H3/b16-6+,17-8+/t18-,19+,20+/m0/s1
• InChI Key: IARQGWSRSWYGLX-HHZYLZNASA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 32.80 Ų
• XlogP: 4.10

Synonyms

• CHEMBL1078829
• NSC740134
• NSC-740134

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.60%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.31%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.76%	96.09%
CHEMBL218	P21554	Cannabinoid CB1 receptor	93.48%	96.61%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.85%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.86%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.85%	97.09%
CHEMBL2581	P07339	Cathepsin D	84.47%	98.95%
CHEMBL4208	P20618	Proteasome component C5	84.31%	90.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.97%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.80%	89.00%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	80.66%	97.50%

Plants that contains it

• Ventilago vitiensis

Cross-Links

• PubChem: 44480981
• LOTUS: LTS0056239
• wikiData: Q105143296