(1R,2S,3S,6E)-6-methyl-10-methylidene-3-propan-2-ylcyclodec-6-ene-1,2-diol

Details

• Internal ID: a72b636a-62c1-4796-a504-59df87dbbb16
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: (1R,2S,3S,6E)-6-methyl-10-methylidene-3-propan-2-ylcyclodec-6-ene-1,2-diol
• InChI: InChI=1S/C15H26O2/c1-10(2)13-9-8-11(3)6-5-7-12(4)14(16)15(13)17/h6,10,13-17H,4-5,7-9H2,1-3H3/b11-6+/t13-,14+,15-/m0/s1
• InChI Key: NWWKYVMTWNUWHC-MSYXNMSRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.50

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	90.38%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.66%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.35%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.96%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.12%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.46%	100.00%
CHEMBL1871	P10275	Androgen Receptor	85.34%	96.43%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.20%	95.89%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.50%	90.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.89%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.27%	95.56%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.09%	93.56%

Plants that contains it

• Cleome droserifolia

Cross-Links

• PubChem: 163188477
• LOTUS: LTS0085929
• wikiData: Q105186838