(-)-Ceriferol 1

Details

• Internal ID: b54c6069-7b97-4001-be14-08feb8a7a5d8
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
• IUPAC Name: [(1Z,4R,7E,11Z)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
• SMILES (Canonical): CC1=CCCC(=CCC(CCC(=CCC1)C)C(=C)CCC=C(C)C)CO
• SMILES (Isomeric): C/C/1=C/CC/C(=C/C[C@@H](CC/C(=C/CC1)/C)C(=C)CCC=C(C)C)/CO
• InChI: InChI=1S/C25H40O/c1-20(2)9-6-13-23(5)25-17-15-22(4)11-7-10-21(3)12-8-14-24(19-26)16-18-25/h9,11-12,16,25-26H,5-8,10,13-15,17-19H2,1-4H3/b21-12-,22-11+,24-16-/t25-/m1/s1
• InChI Key: AJSOCTGMVJYROT-NDACNNDESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₀O
• Molecular Weight: 356.60 g/mol
• Exact Mass: 356.307915895 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 6.60

Synonyms

• CHEBI:187996
• LMPR0105030001
• [(1Z,4R,7E,11Z)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol

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	97.16%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.43%	97.25%
CHEMBL2581	P07339	Cathepsin D	89.68%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.02%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.33%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.64%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.07%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.03%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 42608276
• LOTUS: LTS0191718
• wikiData: Q104913369