Lorneic acid F

Details

• Internal ID: 4f79bd40-63fe-4267-ba47-9da281f3fd09
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (E)-6-[2-[(E)-but-1-enyl]-4-methylphenyl]hex-5-enoic acid
• SMILES (Canonical): CCC=CC1=C(C=CC(=C1)C)C=CCCCC(=O)O
• SMILES (Isomeric): CC/C=C/C1=C(C=CC(=C1)C)/C=C/CCCC(=O)O
• InChI: InChI=1S/C17H22O2/c1-3-4-8-16-13-14(2)11-12-15(16)9-6-5-7-10-17(18)19/h4,6,8-9,11-13H,3,5,7,10H2,1-2H3,(H,18,19)/b8-4+,9-6+
• InChI Key: RNCKUIWKSTYLRP-HNJDCKIISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.35 g/mol
• Exact Mass: 258.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 4.50

Synonyms

• CHEMBL4163409

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
CHEMBL2581	P07339	Cathepsin D	96.60%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.22%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.27%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.20%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.42%	96.00%
CHEMBL1781	P11387	DNA topoisomerase I	91.38%	97.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.95%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	88.04%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.54%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589805
• LOTUS: LTS0092624
• wikiData: Q105241240