2-[(3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

Details

• Internal ID: 6c1ed827-03d1-49f5-bd55-376fb4316dd6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 2-[(3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
• SMILES (Canonical): CC1=CCCC(=CCC(CC1)C(C)(C)O)C
• SMILES (Isomeric): C/C/1=C/CC/C(=C\CC(CC1)C(C)(C)O)/C
• InChI: InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-
• InChI Key: SDMLCXJKAYFHQM-CPZSWDPFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.10

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.96%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.01%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.17%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.01%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.27%	93.99%
CHEMBL1871	P10275	Androgen Receptor	83.34%	96.43%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.28%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.82%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.44%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	80.49%	94.73%

Plants that contains it

• Chamaecyparis obtusa
• Cryptomeria japonica
• Hyssopus officinalis
• Microbiota decussata
• Thymus praecox

Cross-Links

• PubChem: 5365392
• LOTUS: LTS0068701
• wikiData: Q105250746