Cinnzeylanol

Details

• Internal ID: fb1fc833-d0da-4a78-b9eb-dc6a69637e2d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
• InChI: InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3
• InChI Key: TVHZPQAYPSOHQT-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₇
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.21480336 g/mol
• Topological Polar Surface Area (TPSA): 131.00 Ų
• XlogP: -0.80

Synonyms

• 3-Deoxyryanodol
• 3-Deoxy-Ryanodol
• 62394-04-1

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	95.59%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.55%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.63%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.51%	100.00%
CHEMBL238	Q01959	Dopamine transporter	83.40%	95.88%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.75%	90.24%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.32%	97.09%
CHEMBL2581	P07339	Cathepsin D	81.80%	98.95%
CHEMBL2094135	Q96BI3	Gamma-secretase	81.79%	98.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.68%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.80%	93.56%
CHEMBL2996	Q05655	Protein kinase C delta	80.65%	97.79%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.39%	100.00%

Plants that contains it

• Persea indica

Cross-Links

• PubChem: 75069470
• LOTUS: LTS0212252
• wikiData: Q105265317