O-Geranylconiferyl alcohol

Details

• Internal ID: bf9eec2a-75b8-4932-8617-fced801e323b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
• IUPAC Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol
• SMILES (Canonical): CC(=CCCC(=CCOC1=C(C=C(C=C1)C=CCO)OC)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)C
• InChI: InChI=1S/C20H28O3/c1-16(2)7-5-8-17(3)12-14-23-19-11-10-18(9-6-13-21)15-20(19)22-4/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3/b9-6+,17-12+
• InChI Key: UJQXYSRVSXKEES-YIERNNEGSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.20384475 g/mol
• Topological Polar Surface Area (TPSA): 38.70 Ų
• XlogP: 5.00

Synonyms

• 129350-09-0
• (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol
• 2-Propen-1-ol, 3-[4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3-methoxyphenyl]-, (2E)-
• O-GERANYLCONIFERYLALCOHOL
• MEGxp0_001032
• CHEMBL1800815
• SCHEMBL18265473
• ACon1_002425
• 2-Propen-1-ol, 3-[4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-3-methoxyphenyl]-, (2E)-
• DTXSID001347685
• 2-Propen-1-ol, 3-[4-[(3,7-dimethyl-2,6-octadienyl)oxy]-3-methoxyphenyl]-, (E,E)-; (2E)-3-[4-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-3-methoxyphenyl]-2-propen-1-ol
• HY-N3152
• AKOS022184937
• Conifegrol, >=95% (LC/MS-ELSD)
• FS-9407
• (E,E)-3-(4-((3,7-Dimethyl-2,6-octadienyl)oxy)-3-methoxyphenyl)-2-propen-1-ol
• NCGC00169860-01
• CS-0023378
• BRD-K57441863-001-01-7
• 2-Propen-1-ol, 3-(4-((3,7-dimethyl-2,6-octadienyl)oxy)-3-methoxyphenyl)-, (E,E)-

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.90%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.83%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.43%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.90%	92.08%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.79%	91.11%
CHEMBL4208	P20618	Proteasome component C5	87.17%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	86.93%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.82%	90.24%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.53%	95.50%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.27%	89.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.00%	95.56%

Plants that contains it

• Ligularia cyathiceps
• Ligularia duciformis
• Ligularia kanaitzensis
• Ligularia lamarum
• Parasenecio petasitoides
• Pteronia paniculata

Cross-Links

• PubChem: 6439279
• LOTUS: LTS0203412
• wikiData: Q105274124