2,10-Dimethyl-6-methylidenedodeca-3,11-diene-2,7,10-triol

Details

• Internal ID: 10c126ff-8902-4fe5-9030-9abfd8d4aed6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2,10-dimethyl-6-methylidenedodeca-3,11-diene-2,7,10-triol
• SMILES (Canonical): CC(C)(C=CCC(=C)C(CCC(C)(C=C)O)O)O
• SMILES (Isomeric): CC(C)(C=CCC(=C)C(CCC(C)(C=C)O)O)O
• InChI: InChI=1S/C15H26O3/c1-6-15(5,18)11-9-13(16)12(2)8-7-10-14(3,4)17/h6-7,10,13,16-18H,1-2,8-9,11H2,3-5H3
• InChI Key: FCMJFKBUUKKQQA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.36 g/mol
• Exact Mass: 254.18819469 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 2.00

Synonyms

• DTXSID10830138
• 2,10-Dimethyl-6-methylidenedodeca-3,11-diene-2,7,10-triol

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
CHEMBL2885	P07451	Carbonic anhydrase III	88.19%	87.45%
CHEMBL2581	P07339	Cathepsin D	86.87%	98.95%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	86.65%	90.93%
CHEMBL3401	O75469	Pregnane X receptor	86.62%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.76%	97.25%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	84.82%	96.47%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.74%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.58%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	80.10%	93.31%

Plants that contains it

• Schistostephium crataegifolium

Cross-Links

• PubChem: 71410463
• LOTUS: LTS0201134
• wikiData: Q82815731