(1R,2E,6Z,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol

Details

• Internal ID: 97e64cd8-d736-473f-9ce7-9993b1a0ebae
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids
• IUPAC Name: (1R,2E,6E,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
• InChI: InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14,19-21H,1,6-8,11-13H2,2-5H3/b16-9+,17-10+,18-14+/t19-,20-/m1/s1
• InChI Key: AZUVBPVDRHGGEP-CHHSKAHISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.50 g/mol
• Exact Mass: 288.245315640 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 4.70

Synonyms

• Q63391971
• (1R,2E,6Z,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol

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	91.91%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.60%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.34%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.62%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.29%	97.25%
CHEMBL1871	P10275	Androgen Receptor	81.06%	96.43%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14217926
• LOTUS: LTS0111059
• wikiData: Q63391971