Silphinene

Details

• Internal ID: eeec01dd-be17-44d0-bd6c-cbae01d15dc8
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes
• IUPAC Name: (1R,5S,8R,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-ene
• SMILES (Canonical): CC1CCC2C13C=CCC3(CC2(C)C)C
• SMILES (Isomeric): C[C@@H]1CC[C@H]2[C@]13C=CC[C@]3(CC2(C)C)C
• InChI: InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12-,14+,15+/m1/s1
• InChI Key: VHIAMHVUKUKCHP-UXOAXIEHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35 g/mol
• Exact Mass: 204.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.20

Synonyms

• CHEMBL458374

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	92.48%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.73%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	88.22%	90.24%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.83%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.37%	91.11%
CHEMBL325	Q13547	Histone deacetylase 1	83.18%	95.92%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	82.40%	86.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.56%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.79%	92.94%
CHEMBL3045	P05771	Protein kinase C beta	80.62%	97.63%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.57%	100.00%

Plants that contains it

• Helichrysum nudifolium
• Koanophyllon albicaulis
• Nassauvia darwinii
• Streptoglossa decurrens

Cross-Links

• PubChem: 44567200
• LOTUS: LTS0070759
• wikiData: Q104397102