5,10,15,15-Tetramethyl-4,9,13,14-tetraoxatetracyclo[10.3.0.03,5.08,10]pentadec-1-en-12-ol

Details

• Internal ID: e8e7899c-aef8-4794-8e4c-dd0d95c24441
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 5,10,15,15-tetramethyl-4,9,13,14-tetraoxatetracyclo[10.3.0.03,5.08,10]pentadec-1-en-12-ol
• SMILES (Canonical): CC1(C2=CC3C(O3)(CCC4C(O4)(CC2(OO1)O)C)C)C
• SMILES (Isomeric): CC1(C2=CC3C(O3)(CCC4C(O4)(CC2(OO1)O)C)C)C
• InChI: InChI=1S/C15H22O5/c1-12(2)9-7-11-13(3,18-11)6-5-10-14(4,17-10)8-15(9,16)20-19-12/h7,10-11,16H,5-6,8H2,1-4H3
• InChI Key: KQFWIVNLLMSUTP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₅
• Molecular Weight: 282.33 g/mol
• Exact Mass: 282.14672380 g/mol
• Topological Polar Surface Area (TPSA): 63.80 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.18%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.31%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.25%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.27%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.53%	92.94%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.37%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.43%	100.00%

Plants that contains it

• Curcuma aromatica

Cross-Links

• PubChem: 73657400
• LOTUS: LTS0136497
• wikiData: Q105144532