2-Methyl-5-pentadeca-8,11-dienylbenzene-1,3-diol

Details

• Internal ID: 1f81b215-c02c-4221-8e8e-e60eb62c1848
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 2-methyl-5-pentadeca-8,11-dienylbenzene-1,3-diol
• SMILES (Canonical): CCCC=CCC=CCCCCCCCC1=CC(=C(C(=C1)O)C)O
• SMILES (Isomeric): CCCC=CCC=CCCCCCCCC1=CC(=C(C(=C1)O)C)O
• InChI: InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h5-6,8-9,17-18,23-24H,3-4,7,10-16H2,1-2H3
• InChI Key: IZGYQWUVUWZOPQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.50 g/mol
• Exact Mass: 330.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 7.80

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
CHEMBL2581	P07339	Cathepsin D	96.34%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.75%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.64%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.51%	96.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.32%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.82%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.77%	94.73%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	85.87%	90.75%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.33%	97.21%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.85%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	81.00%	97.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.91%	95.56%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.51%	96.25%

Plants that contains it

• Anacardium occidentale

Cross-Links

• PubChem: 53943196
• LOTUS: LTS0161160
• wikiData: Q104169282