(-)-5-Silphiperfolene

Details

• Internal ID: a0918d60-2168-4d8b-a9a4-3487832bd03d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes
• IUPAC Name: (1S,2S,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene
• SMILES (Canonical): CC1CCC23C1CCC2(C=C(C3C)C)C
• SMILES (Isomeric): C[C@H]1CC[C@@]23[C@@H]1CC[C@@]2(C=C([C@@H]3C)C)C
• InChI: InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12-,13+,14+,15+/m0/s1
• InChI Key: OVRIZVNVMIWWMN-VNUKXSOBSA-N
• Popularity: 0 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: 4.80

Synonyms

• LMPR0103750003

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.66%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.19%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.86%	97.25%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.97%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.57%	97.09%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	84.40%	86.00%
CHEMBL1871	P10275	Androgen Receptor	82.96%	96.43%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	82.07%	94.80%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.54%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.38%	86.33%

Plants that contains it

• Osteospermum auriculatum
• Planaltoa lychnophoroides
• Silphium perfoliatum
• Wedelia hookeriana

Cross-Links

• PubChem: 42608191
• LOTUS: LTS0077856
• wikiData: Q76535319