NPASS Natural Product

Natural Product: NPC217229

Natural Product ID:	NPC217229
Common Name:	Diethoxy(Dimethyl)Silane
IUPAC Name:	diethoxy(dimethyl)silane
Synonyms:
Molecular Formula:	C6H16O2Si
Standard InCHIKey:	YYLGKUPAFFKGRQ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H3
Canonical SMILES:	CCO[Si](OCC)(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO20553	Zingiber officinale	Species	Zingiberaceae	Eukaryota				TCMSP*

Biological Activity

Activity Type	# Activity
Potency	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Potency		3857.1	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC217229 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	10383
0.1-0.2	17622
0.2-0.3	2347
0.3-0.4	388
0.4-0.5	125
0.5-0.6	23
0.6-0.7	1
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6087	Remote Similarity	NPC188413
0.5833	Remote Similarity	NPC171090
0.5833	Remote Similarity	NPC43196
0.5769	Remote Similarity	NPC30787
0.56	Remote Similarity	NPC219694
0.56	Remote Similarity	NPC61373

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC217229 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	5506
0.1-0.2	2967
0.2-0.3	514
0.3-0.4	144
0.4-0.5	26
0.5-0.6	2
0.6-0.7	2
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.64	Remote Similarity	NPD402	Approved
0.619	Remote Similarity	NPD9066	Approved
0.5909	Remote Similarity	NPD8547	Phase 2

Structure

External Identifiers

PubChem CID	62322
ChEMBL	CHEMBL3561087
ZINC

Physicochemical Properties

Molecular Weight:	148.09
ALogP:	1.5632
MLogP:	1.79
XLogP:	2.006
# Rotatable Bonds:	8
Polar Surface Area:	18.46
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	0
# Heavy Atoms:	9

Download Data

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General Info & Identifiers & Properties
Structure MOL file
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