15-Norlubiminol

Details

• Internal ID: 88390781-b5e1-4cf7-b599-682fb7f4a297
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids
• IUPAC Name: (3R,5S,6R,8S,10S)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-8,10-diol
• SMILES (Canonical): CC1CC(CC(C12CCC(C2)C(=C)C)O)O
• SMILES (Isomeric): C[C@@H]1C[C@@H](C[C@@H]([C@]12CC[C@H](C2)C(=C)C)O)O
• InChI: InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1
• InChI Key: ZFLAQNRXNIGIQD-DGTMBMJNSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34 g/mol
• Exact Mass: 224.177630004 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.90

Synonyms

• Spiro(4.5)decane-6,8-diol, 10-methyl-2-(1-methylethenyl)-, (2R,5S,6S,8S,10R)-
• 349106-29-2
• 15-NORLIBIMINOL
• CHEMBL2270655

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	95.21%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.47%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	92.34%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.16%	91.11%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	88.56%	82.69%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.84%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.94%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.09%	95.89%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.68%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.30%	96.95%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.14%	96.61%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	81.07%	91.03%

Plants that contains it

• Solanum aethiopicum

Cross-Links

• PubChem: 76330546
• LOTUS: LTS0239524
• wikiData: Q105374284