5-(Hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol

Details

• Internal ID: 342a9ebe-648a-4019-89c9-7255d799ee2e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
• IUPAC Name: 5-(hydroxymethyl)-4-(3-hydroxyprop-1-en-2-yl)-1-methylcyclopentane-1,2-diol
• InChI: InChI=1S/C10H18O4/c1-6(4-11)7-3-9(13)10(2,14)8(7)5-12/h7-9,11-14H,1,3-5H2,2H3
• InChI Key: ZHKYTTFZXBSTEE-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈O₄
• Molecular Weight: 202.25 g/mol
• Exact Mass: 202.12050905 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: -0.30

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	95.85%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.70%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.34%	97.25%
CHEMBL226	P30542	Adenosine A1 receptor	90.16%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.94%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	89.76%	96.61%
CHEMBL206	P03372	Estrogen receptor alpha	89.61%	97.64%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.49%	97.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.78%	96.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.56%	100.00%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	82.54%	91.24%
CHEMBL2996	Q05655	Protein kinase C delta	81.30%	97.79%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.85%	95.50%

Plants that contains it

• Patrinia scabra

Cross-Links

• PubChem: 75149776
• LOTUS: LTS0137502
• wikiData: Q105375826