3,7-Dimethylidene-10-propan-2-ylcyclodecane-1,2,5,6-tetrol

Details

• Internal ID: 98646bfa-edc6-4a63-a1b4-338e5acf99c2
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 3,7-dimethylidene-10-propan-2-ylcyclodecane-1,2,5,6-tetrol
• SMILES (Canonical): CC(C)C1CCC(=C)C(C(CC(=C)C(C1O)O)O)O
• SMILES (Isomeric): CC(C)C1CCC(=C)C(C(CC(=C)C(C1O)O)O)O
• InChI: InChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h8,11-19H,3-7H2,1-2H3
• InChI Key: GCYRLRXIBBSIKA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₄
• Molecular Weight: 270.36 g/mol
• Exact Mass: 270.18310931 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 0.50

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	93.13%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.38%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.06%	95.89%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.99%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.54%	91.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.49%	90.71%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.28%	100.00%
CHEMBL226	P30542	Adenosine A1 receptor	85.26%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.32%	97.09%
CHEMBL1871	P10275	Androgen Receptor	81.93%	96.43%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.15%	95.89%

Plants that contains it

• Santolina chamaecyparissus

Cross-Links

• PubChem: 162974516
• LOTUS: LTS0141285
• wikiData: Q105006572