(1R,2Z,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol

Details

• Internal ID: 203379c4-133a-4486-8f30-4a8338a0920f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids
• IUPAC Name: (1R,2Z,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
• InChI: InChI=1S/C20H32O2/c1-14(2)18-10-9-15(3)7-6-8-16(4)11-19(21)12-17(5)20(22)13-18/h8-9,12,18-22H,1,6-7,10-11,13H2,2-5H3/b15-9-,16-8+,17-12-/t18-,19-,20+/m0/s1
• InChI Key: GNHCOOWDEKAJLG-QCDFFJLCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.50

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	93.62%	97.25%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	92.45%	97.21%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.89%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.91%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.45%	96.95%
CHEMBL1951	P21397	Monoamine oxidase A	85.38%	91.49%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.70%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.06%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163193777
• LOTUS: LTS0186517
• wikiData: Q105012489