Camphene

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	d24e3cd7-2b34-444f-8cc5-305e527cd23c
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name	2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILES (Canonical)
SMILES (Isomeric)
InChI	InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
InChI Key	CRPUJAZIXJMDBK-UHFFFAOYSA-N
Popularity	4,457 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₀H₁₆
Molecular Weight	136.23 g/mol
Exact Mass	136.125200510 g/mol
Topological Polar Surface Area (TPSA)	0.00 Å²
XlogP	3.30
Atomic LogP (AlogP)	3.00
H-Bond Acceptor	0
H-Bond Donor	0
Rotatable Bonds	0

Synonyms

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79-92-5

Comphene

DL-Camphene

2,2-Dimethyl-3-methylenenorbornane

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

3,3-Dimethyl-2-methylenenorbornane

3,3-Dimethyl-2-methylenenorcamphane

FEMA No. 2229

2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane

Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-

There are more than 10 synonyms. If you wish to see them all click here.

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 (%)
Human Intestinal Absorption	+	0.9884	98.84%
Caco-2	+	0.6141	61.41%
Blood Brain Barrier	+	0.9250	92.50%
Human oral bioavailability	+	0.6286	62.86%
Subcellular localzation	Lysosomes	0.8063	80.63%
OATP2B1 inhibitior	-	0.8460	84.60%
OATP1B1 inhibitior	+	0.9360	93.60%
OATP1B3 inhibitior	+	0.8579	85.79%
MATE1 inhibitior	-	0.8600	86.00%
OCT2 inhibitior	-	0.7000	70.00%
BSEP inhibitior	-	0.9399	93.99%
P-glycoprotein inhibitior	-	0.9769	97.69%
P-glycoprotein substrate	-	0.8911	89.11%
CYP3A4 substrate	-	0.5461	54.61%
CYP2C9 substrate	-	0.8062	80.62%
CYP2D6 substrate	-	0.7846	78.46%
CYP3A4 inhibition	-	0.8789	87.89%
CYP2C9 inhibition	-	0.8779	87.79%
CYP2C19 inhibition	-	0.7708	77.08%
CYP2D6 inhibition	-	0.9331	93.31%
CYP1A2 inhibition	-	0.7566	75.66%
CYP2C8 inhibition	-	0.9187	91.87%
CYP inhibitory promiscuity	-	0.6831	68.31%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.7000	70.00%
Carcinogenicity (trinary)	Non-required	0.4777	47.77%
Eye corrosion	-	0.8366	83.66%
Eye irritation	+	0.9828	98.28%
Skin irritation	-	0.5419	54.19%
Skin corrosion	-	0.9795	97.95%
Ames mutagenesis	-	0.9900	99.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.6664	66.64%
Micronuclear	-	0.9900	99.00%
Hepatotoxicity	+	0.7427	74.27%
skin sensitisation	+	0.8941	89.41%
Respiratory toxicity	-	0.5889	58.89%
Reproductive toxicity	-	0.5778	57.78%
Mitochondrial toxicity	-	0.6754	67.54%
Nephrotoxicity	+	0.5932	59.32%
Acute Oral Toxicity (c)	III	0.8360	83.60%
Estrogen receptor binding	-	0.8726	87.26%
Androgen receptor binding	-	0.8102	81.02%
Thyroid receptor binding	-	0.8544	85.44%
Glucocorticoid receptor binding	-	0.7029	70.29%
Aromatase binding	-	0.8593	85.93%
PPAR gamma	-	0.8545	85.45%
Honey bee toxicity	-	0.9083	90.83%
Biodegradation	+	0.5500	55.00%
Crustacea aquatic toxicity	+	0.7600	76.00%
Fish aquatic toxicity	+	0.9965	99.65%

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.25%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.79%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.41%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.21%	97.25%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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PubChem	6616
NPASS	NPC166362
LOTUS	LTS0267242
wikiData	Q416775

Camphene

Table of Contents

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties (via admetSAR 2)

Targets

Proven Targets:

Predicted Targets (via Super-PRED):

Plants that contains it

Cross-Links