4,8,11,11-Tetramethylbicyclo[8.1.0]undeca-4,8-dien-2-ol

Details

• Internal ID: 675ca33c-209d-4a58-858a-d8532eeeae8c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Bicyclogermacrane and isolepidozane sesquiterpenoids
• IUPAC Name: 4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-dien-2-ol
• SMILES (Canonical): CC1=CC2C(C2(C)C)C(CC(=CCC1)C)O
• SMILES (Isomeric): CC1=CC2C(C2(C)C)C(CC(=CCC1)C)O
• InChI: InChI=1S/C15H24O/c1-10-6-5-7-11(2)9-13(16)14-12(8-10)15(14,3)4/h7-8,12-14,16H,5-6,9H2,1-4H3
• InChI Key: DYXWUZXSAMLWND-UHFFFAOYSA-N
• Popularity: 0 references 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: 3.00

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	95.11%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.47%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.19%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.84%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.28%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.89%	92.94%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.34%	95.89%

Plants that contains it

• Acritopappus heterolepis
• Parthenium argentatum

Cross-Links

• PubChem: 4283002
• LOTUS: LTS0071159
• wikiData: Q104991638