Cyclofarnesine T

Details

• Internal ID: 838b46da-6265-4261-8c82-2eb33f2b4fab
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (4S)-5-hydroxy-4-(hydroxymethyl)-3-(5-hydroxy-3-methylpenta-1,3-dienyl)-2,4-dimethylcyclohex-2-en-1-one
• SMILES (Canonical): CC1=C(C(C(CC1=O)O)(C)CO)C=CC(=CCO)C
• SMILES (Isomeric): CC1=C([C@@](C(CC1=O)O)(C)CO)C=CC(=CCO)C
• InChI: InChI=1S/C15H22O4/c1-10(6-7-16)4-5-12-11(2)13(18)8-14(19)15(12,3)9-17/h4-6,14,16-17,19H,7-9H2,1-3H3/t14?,15-/m1/s1
• InChI Key: AEQVVRDSWRRNKU-YSSOQSIOSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.33 g/mol
• Exact Mass: 266.15180918 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 1.10

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
CHEMBL4040	P28482	MAP kinase ERK2	97.80%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.23%	91.11%
CHEMBL1937	Q92769	Histone deacetylase 2	94.29%	94.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.50%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.98%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.47%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.67%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.31%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.58%	85.14%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.04%	93.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.98%	89.34%
CHEMBL221	P23219	Cyclooxygenase-1	80.75%	90.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.34%	89.00%

Plants that contains it

• Hylomecon japonica
• Sarcocapnos crassifolia

Cross-Links

• PubChem: 139590779
• LOTUS: LTS0074028
• wikiData: Q105253002