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	Decamethylcyclopentasiloxane
	Molecular Formula	C10H30O5Si5
	IUPAC Name*	2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
	SMILES	C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C
	InChI	InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3
	InChIKey	XMSXQFUHVRWGNA-UHFFFAOYSA-N
	Synonyms	DECAMETHYLCYCLOPENTASILOXANE; 541-02-6; Cyclopentasiloxane, decamethyl-; Cyclomethicone 5; 2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane; Dimethylsiloxane pentamer; Dekamethylcyklopentasiloxan; CYCLOMETHICONE; Ciclopentasiloxane; Cyclomethicone D5; 0THT5PCI0R; Ddecamethylcyclopentasiloxane; 2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane; Dow corning 345; NUC silicone VS 7158; Silicon SF 1202; Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-; Cyclic dimethylsiloxane pentamer; MFCD00046966; KF 995; VS 7158; D5-sil; CCRIS 1328; HSDB 5683; Dekamethylcyklopentasiloxan [Czech]; EINECS 208-764-9; UNII-0THT5PCI0R; decamethyl cyclopentasiloxane; SF 1202; BRN 1800166; D5 Cyclomethicone; D5; dimethylcyclopentasiloxane; Decamethylcylopentasiloxane; DSSTox_CID_7184; JEESILC CPS-211; EC 208-764-9; DSSTox_RID_78338; DSSTox_GSID_27184; SCHEMBL28497; N-Propylheptamethyltrisiloxane; XIAMETER PMX-0245; 4-04-00-04128 (Beilstein Handbook Reference); CYCLOPENTASILOXANE (D5); CHEMBL1885178; DTXSID1027184; CYCLOPENTASILOXANE [INCI]; CHEBI:191092; Decamethylcyclopentasiloxane, 97%; CYCLOMETHICONE 5 [USP-RS]; CYCLOMETHICONE 5 [WHO-DD]; BCP15826; Tox21_303170; CD3770; KF-995; AKOS008901199; ZINC169743678; CS-W009767; DB11244; DOW CORNING ST CYCLOMETHICONE 5; DECAMETHYLCYCLOPENTASILOXANE [MI]; NCGC00163981-01; NCGC00257224-01; OCTAMETHYLCYCLOTETRASILOXANE (D5); AS-59731; CAS-541-02-6; DECAMETHYLCYCLOPENTASILOXANE [HSDB]; KP-545 COMPONENT CYCLOMETHICONE 5; D1890; D3770; Decamethylcyclopentasiloxane (cyclic monomer); FT-0665531; D78203; S05475; Decamethylcyclopentasiloxane, analytical standard; Q414350; decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane; Cyclomethicone 5, United States Pharmacopeia (USP) Reference Standard; 2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane #; D5 Cyclomethicone, Pharmaceutical Secondary Standard; Certified Reference Material
	CAS	541-02-6
	PubChem CID	10913
	ChEMBL ID	CHEMBL1885178

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Organometallic compounds Class: Organometalloid compounds Subclass: Organosilicon compounds Direct Parent: Organoheterosilanes	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:	370.77	ALogp:	3.6
HBD:	0	HBA:	5
Rotatable Bonds:	0	Lipinski's rule of five:	Rejected
Polar Surface Area:	46.2	Aromatic Rings:	1
Heavy Atoms:	20	QED Weighted:	0.595

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.729	MDCK Permeability:	0.00006630
Pgp-inhibitor:	0.067	Pgp-substrate:	0.061
Human Intestinal Absorption (HIA):	0.893	20% Bioavailability (F20%):	0.014
30% Bioavailability (F30%):	0.046

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0	Plasma Protein Binding (PPB):	103.60%
Volume Distribution (VD):	2.811	Fu:	13.64%

ADMET: Metabolism

CYP1A2-inhibitor:	0.323	CYP1A2-substrate:	0.971
CYP2C19-inhibitor:	0.86	CYP2C19-substrate:	0.948
CYP2C9-inhibitor:	0.777	CYP2C9-substrate:	0.962
CYP2D6-inhibitor:	0.057	CYP2D6-substrate:	0.922
CYP3A4-inhibitor:	0.257	CYP3A4-substrate:	0.079

ADMET: Excretion

Clearance (CL):

2.438

Half-life (T1/2):

0.243

ADMET: Toxicity

hERG Blockers:	0.365	Human Hepatotoxicity (H-HT):	0.006
Drug-inuced Liver Injury (DILI):	0.027	AMES Toxicity:	0.041
Rat Oral Acute Toxicity:	0.002	Maximum Recommended Daily Dose:	0.277
Skin Sensitization:	0.925	Carcinogencity:	0.044
Eye Corrosion:	1	Eye Irritation:	0.997
Respiratory Toxicity:	0.09

*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
ENC000372		0.833			D07VDZ		0.090
ENC000385		0.800			D0H2DQ		0.078
ENC000236		0.714			D0Y5ZA		0.077
ENC000386		0.625			D02YIZ		0.076
ENC000375		0.600			D04JMQ		0.076
ENC000387		0.556			D0Z1ZM		0.075
ENC001134		0.500			D03HJK		0.075
ENC000562		0.122			D06IGU		0.075
ENC000530		0.110			D06ZUP		0.073
ENC001270		0.105			D09YHJ		0.072

*Note: the compound similarity was calculated by RDKIT.