EMNPD

NPs Basic Information
NPs Species Source
NPs Content
NPs Biological Activity
NPs Physi-Chem Properties
NPs ADMET Properties
Similar NPs and Drugs

NPs Basic Information

Download MOL File	Name	Camphene
	Molecular Formula	C10H16
	IUPAC Name*	2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
	SMILES	CC1(C2CCC(C2)C1=C)C
	InChI	InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
	InChIKey	CRPUJAZIXJMDBK-UHFFFAOYSA-N
	Synonyms	CAMPHENE; 79-92-5; Comphene; 2,2-Dimethyl-3-methylenenorbornane; (+/-)-Camphene; 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 3,3-Dimethyl-2-methylenenorbornane; 3,3-Dimethyl-2-methylenenorcamphane; 565-00-4; 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-; FEMA No. 2229; DL-Camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-; CHEBI:3830; G3VG94Z26E; Camphene, (1R,4S)-(+)-; 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; NSC-4165; DSSTox_CID_6488; DSSTox_RID_78121; DSSTox_GSID_26488; Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1R)-; CAS-79-92-5; CCRIS 3783; HSDB 900; NSC 4165; 3,3-Dimethyl-2-methylenenorcamphene; EINECS 201-234-8; EINECS 209-275-3; UNII-G3VG94Z26E; AI3-01775; Camphene (2,2-dimethyl-3-methylene-norbornane); 2,2-dimethyl-3-methylene-norbornane; MFCD00066603; CAMPHENE [FHFI]; CAMPHENE [HSDB]; CAMPHENE [INCI]; CAMPHENE [FCC]; CAMPHENE [MI]; CAMPHENE, DL-; 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane #; CAMPHENE, D,L-; CAMPHENE [MART.]; CAMPHENE [WHO-DD]; EC 201-234-8; 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane; (1)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; CAMPHENE, (+/-)-; CHEMBL2268550; DTXSID8026488; NSC4165; Tox21_202014; Tox21_303152; BBL033861; STK801857; AKOS004119935; CCG-266137; NCGC00249149-01; NCGC00257126-01; NCGC00259563-01; WLN: L55 A CYTJ CU1 D1 D1; VS-12317; DB-053130; DB-056393; DB-057848; FT-0609260; FT-0635856; FT-0635857; EN300-20391; C06076; E87135; Bicyclo[2.2.1]heptane,2-dimethyl-3-methylene-; 565C004; Q416775; SR-01000944833; SR-01000944833-1; (+/-)-Camphene, tech. (sum of camphene + fenchene); Z104478010
	CAS	79-92-5
	PubChem CID	6616
	ChEMBL ID	CHEMBL2268550

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Lipids and lipid-like mol Class: Prenol lipids Subclass: Monoterpenoids Direct Parent: Bicyclic monoterpenoids	ClassyFire Version 1.0 PMID:27867422

NPs Species Source

	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference
	Endophyte ID	Endophyte Name	Family	Genus	Taxonomy ID	GenBank ID	Closest GenBank ID	Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.

**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name
	Bioactivity Name	Target ID	Target Name	Target Type	Target Organism	Target Organism ID	Potency of Bioactivity	Activity Type	Value	Unit	Endophyte ID	Endophyte Name

NPs Physi-Chem Properties

Molecular Weight:	136.23	ALogp:	3.3
HBD:	0	HBA:	0
Rotatable Bonds:	0	Lipinski's rule of five:	Accepted
Polar Surface Area:	0.0	Aromatic Rings:	2
Heavy Atoms:	10	QED Weighted:	0.444

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-4.463	MDCK Permeability:	0.00002040
Pgp-inhibitor:	0	Pgp-substrate:	0
Human Intestinal Absorption (HIA):	0.003	20% Bioavailability (F20%):	0.006
30% Bioavailability (F30%):	0.003

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.975	Plasma Protein Binding (PPB):	67.76%
Volume Distribution (VD):	1.761	Fu:	29.05%

ADMET: Metabolism

CYP1A2-inhibitor:	0.601	CYP1A2-substrate:	0.859
CYP2C19-inhibitor:	0.193	CYP2C19-substrate:	0.879
CYP2C9-inhibitor:	0.171	CYP2C9-substrate:	0.852
CYP2D6-inhibitor:	0.016	CYP2D6-substrate:	0.896
CYP3A4-inhibitor:	0.051	CYP3A4-substrate:	0.289

ADMET: Excretion

Clearance (CL):

9.346

Half-life (T1/2):

0.077

ADMET: Toxicity

hERG Blockers:	0.015	Human Hepatotoxicity (H-HT):	0.143
Drug-inuced Liver Injury (DILI):	0.104	AMES Toxicity:	0.004
Rat Oral Acute Toxicity:	0.025	Maximum Recommended Daily Dose:	0.73
Skin Sensitization:	0.267	Carcinogencity:	0.194
Eye Corrosion:	0.913	Eye Irritation:	0.98
Respiratory Toxicity:	0.886

*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs					Similar Drugs
NPs ID	NPs 2D Structure	Similarity Score			TTD ID	Drug 2D Structure	Similarity Score
ENC000482		0.421			D0V8HA		0.341
ENC002998		0.388			D0H1QY		0.273
ENC001811		0.386			D04CSZ		0.217
ENC002228		0.357			D04DJN		0.211
ENC000613		0.350			D0U3GL		0.205
ENC002084		0.333			D0D2VS		0.205
ENC000366		0.333			D07QKN		0.204
ENC005520		0.333			D0A2AJ		0.203
ENC001814		0.302			D00VZZ		0.197
ENC000481		0.302			D0Q6NZ		0.192

*Note: the compound similarity was calculated by RDKIT.