3,7-Dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol

Details

• Internal ID: 183b6c70-421d-4e92-bdc6-cefaec4c6f3e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol
• SMILES (Canonical): CC1=CC(CC(=CC(C(CC1)C(C)C)O)C)O
• SMILES (Isomeric): CC1=CC(CC(=CC(C(CC1)C(C)C)O)C)O
• InChI: InChI=1S/C15H26O2/c1-10(2)14-6-5-11(3)7-13(16)8-12(4)9-15(14)17/h7,9-10,13-17H,5-6,8H2,1-4H3
• InChI Key: QNMWLBQJIVQIBA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.30

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	92.31%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.85%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.04%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.38%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.95%	93.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.90%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.95%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.22%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	80.10%	86.00%

Plants that contains it

• Santolina chamaecyparissus

Cross-Links

• PubChem: 75051828
• LOTUS: LTS0223486
• wikiData: Q105224553