(-)-Pinene

Details

• Internal ID: ac6118c0-8933-4dc8-aa21-fb5f62fda162
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
• SMILES (Canonical): CC1=C2CC(C2(C)C)CC1
• SMILES (Isomeric): CC1=C2CC(C2(C)C)CC1
• InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3
• InChI Key: NDUIFQPPDDOKRN-UHFFFAOYSA-N
• Popularity: 1,896 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.23 g/mol
• Exact Mass: 136.125200510 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 2.60

Synonyms

• (-)- -pinene
• NDUIFQPPDDOKRN-UHFFFAOYSA-N

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	89.53%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.18%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.23%	91.11%
CHEMBL1871	P10275	Androgen Receptor	86.01%	96.43%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.45%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.47%	95.56%
CHEMBL1902	P62942	FK506-binding protein 1A	82.05%	97.05%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.38%	92.94%

Plants that contains it

• Eucalyptus brassiana
• Lonicera japonica
• Piper nigrum
• Sassafras randaiense
• Spiranthera odoratissima
• Verbena officinalis var. officinalis

Cross-Links

• PubChem: 15837102
• LOTUS: LTS0080542
• wikiData: Q104667202