(2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol

Details

• Internal ID: 364dc78e-2baf-4197-ba1e-84534443adbc
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: (2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
• InChI: InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-16H,3-4,6-8H2,1-2H3/b10-5-,11-9-/t13-,14+,15-/m0/s1
• InChI Key: XOQBPGQAAARDLU-MHPKDYPXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 1.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.80%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.43%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	86.85%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.39%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.89%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.50%	97.25%
CHEMBL1871	P10275	Androgen Receptor	84.04%	96.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.04%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.69%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.34%	89.00%
CHEMBL2581	P07339	Cathepsin D	80.44%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	80.23%	94.73%

Plants that contains it

• Magnolia virginiana

Cross-Links

• PubChem: 163191300
• LOTUS: LTS0219148
• wikiData: Q105337864