Oxysolavetivone

Details

• Internal ID: 43808065-57d5-407a-8a63-941b086ce625
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
• SMILES (Canonical): CC1CC(=O)C=C(C12CCC(C2)C(=C)C)CO
• SMILES (Isomeric): CC1CC(=O)C=C(C12CCC(C2)C(=C)C)CO
• InChI: InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3
• InChI Key: JPVDGXUSNAEUIC-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 2.70

Synonyms

• DTXSID701124563
• 14-Hydroxy-1(10),11-spirovetivadien-2-one
• 103573-06-4
• Spiro[4.5]dec-6-en-8-one, 6-(hydroxymethyl)-10-methyl-2-(1-methylethenyl)-, (2R,5S,10R)-

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	96.53%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.40%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.56%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.83%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.99%	100.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	90.58%	82.69%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.18%	93.04%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.85%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.11%	95.56%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	84.51%	94.80%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.21%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.04%	85.14%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.98%	96.61%
CHEMBL1902	P62942	FK506-binding protein 1A	80.64%	97.05%

Plants that contains it

• Solanum tuberosum

Cross-Links

• PubChem: 74427721
• LOTUS: LTS0151074
• wikiData: Q105133335