Patchoulene

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	55e9e0a5-d32e-4850-a5c0-8e8bc54b27d4
Taxonomy	Hydrocarbons > Polycyclic hydrocarbons
IUPAC Name	(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene
SMILES (Canonical)	CC1CCC2=C1CC3CCC2(C3(C)C)C
SMILES (Isomeric)	C[C@@H]1CCC2=C1C[C@@H]3CC[C@@]2(C3(C)C)C
InChI	InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15+/m1/s1
InChI Key	CSKINCSXMLCMAR-ZETOZRRWSA-N
Popularity	2 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₂₄
Molecular Weight	204.35 g/mol
Exact Mass	204.187800766 g/mol
Topological Polar Surface Area (TPSA)	0.00 Å²
XlogP	4.30

Synonyms

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CSKINCSXMLCMAR-ZETOZRRWSA-N

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.64%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.18%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.11%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.33%	97.09%
CHEMBL4444	P04070	Vitamin K-dependent protein C	84.08%	93.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.48%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.08%	92.94%
CHEMBL226	P30542	Adenosine A1 receptor	80.84%	95.93%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.72%	100.00%
CHEMBL2996	Q05655	Protein kinase C delta	80.61%	97.79%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.