Suberosol C

Details

• Internal ID: 101c87cb-5f0f-4f09-845e-36b6580b06e9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1R,3R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-ol
• SMILES (Canonical): CC1=CCCC(=C)C2CC(C2CC1O)(C)C
• SMILES (Isomeric): C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2C[C@H]1O)(C)C
• InChI: InChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13-,14-/m1/s1
• InChI Key: OIEGRICJBAVBOD-WGAXFZFBSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.35 g/mol
• Exact Mass: 220.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.10

Synonyms

• CHEMBL463056

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.88%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.43%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.91%	96.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	90.32%	95.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.14%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.51%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.86%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.73%	92.94%
CHEMBL1871	P10275	Androgen Receptor	82.14%	96.43%
CHEMBL4208	P20618	Proteasome component C5	81.41%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.81%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9991033
• LOTUS: LTS0076570
• wikiData: Q105192467