(1R,3S,5R,6S,10S)-5,12,12-trimethyl-9-methylidene-4-oxatricyclo[8.2.0.03,5]dodecan-6-ol

Details

• Internal ID: a5516740-2b09-4272-a2f3-59308c57de29
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: (1R,3S,5R,6S,10S)-5,12,12-trimethyl-9-methylidene-4-oxatricyclo[8.2.0.03,5]dodecan-6-ol
• SMILES (Canonical): CC1(CC2C1CC3C(O3)(C(CCC2=C)O)C)C
• SMILES (Isomeric): C[C@@]12[C@H](CCC(=C)[C@H]3CC([C@@H]3C[C@@H]1O2)(C)C)O
• InChI: InChI=1S/C15H24O2/c1-9-5-6-12(16)15(4)13(17-15)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15-/m1/s1
• InChI Key: LPNFWWBDWLFIFV-DGMCESFYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 32.80 Ų
• XlogP: 2.60

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	96.19%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.81%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.32%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.66%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.51%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.53%	97.25%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.99%	92.94%
CHEMBL1871	P10275	Androgen Receptor	83.70%	96.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.16%	95.89%
CHEMBL259	P32245	Melanocortin receptor 4	82.76%	95.38%
CHEMBL226	P30542	Adenosine A1 receptor	81.54%	95.93%

Plants that contains it

• Sindora sumatrana

Cross-Links

• PubChem: 10354120
• LOTUS: LTS0123866
• wikiData: Q105155271