3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol

Details

• Internal ID: 6a8db7e8-5db6-4b2c-910e-d1cfbb63e664
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Bicyclogermacrane and isolepidozane sesquiterpenoids
• IUPAC Name: 3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol
• SMILES (Canonical): CC1=CC(C(C(=CC2C(C2(C)C)CC1)C)O)O
• SMILES (Isomeric): CC1=CC(C(C(=CC2C(C2(C)C)CC1)C)O)O
• InChI: InChI=1S/C15H24O2/c1-9-5-6-11-12(15(11,3)4)8-10(2)14(17)13(16)7-9/h7-8,11-14,16-17H,5-6H2,1-4H3
• InChI Key: HMLUAIQJVMUHKN-UHFFFAOYSA-N
• Popularity: 0 references 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): 40.50 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.24%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.06%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.23%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.34%	97.25%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	82.96%	86.00%
CHEMBL221	P23219	Cyclooxygenase-1	82.44%	90.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.47%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.76%	97.09%
CHEMBL2581	P07339	Cathepsin D	80.03%	98.95%

Plants that contains it

• Helichrysum ambiguum

Cross-Links

• PubChem: 163000484
• LOTUS: LTS0220113
• wikiData: Q105030566