NPASS Natural Product

Natural Product: NPC269367

Natural Product ID:	NPC269367
Common Name:	Dictamnine
IUPAC Name:	4-methoxyfuro[2,3-b]quinoline
Synonyms:	4-Methoxyfuro[2,3-B]Quinoline; Dictamine; Dictamnine
Molecular Formula:	C12H9NO2
Standard InCHIKey:	WIONIXOBNMDJFJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
Canonical SMILES:	COc1c2ccccc2nc2c1cco2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Show entries

Search:

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO10019	Ilex oblonga	Species	Aquifoliaceae	Eukaryota	UNPD*
NPO10098	Glycosmis pseudoracemosa	Species	Rutaceae	Eukaryota	UNPD*
NPO103	Stereocaulon salazinum	Species	Stereocaulaceae	Eukaryota	UNPD*
NPO1040	Ficus conraui	Species	Moraceae	Eukaryota	UNPD*
NPO10659	Helminthosporium victoriae	Species	Massarinaceae	Eukaryota	UNPD*
NPO10669	Cousinia pterocaulos	Species	Asteraceae	Eukaryota	UNPD*
NPO10830	Dictamnus dasycarpus	Species	Rutaceae	Eukaryota	TCMID*
NPO10830	Dictamnus dasycarpus	Species	Rutaceae	Eukaryota	UNPD*
NPO10830	Dictamnus dasycarpus	Species	Rutaceae	Eukaryota	TCM_Taiwan*
NPO10830	Dictamnus dasycarpus	Species	Rutaceae	Eukaryota	HerDing*

Showing 1 to 10 of 190 entries

Previous1 2 3 4 5…19Next

Biological Activity

Activity Type	# Activity
EC50	3
IC50	3
MIC	3
Others	61
Potency	2

Activity Type	# Activity
Cell Line	11
Individual Protein	4
Organism	50
Others	7

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	0	%	6195312
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	82.4	%	6195312
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	60	%	6195312
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	50.6	%	6195312
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	3.4	%	6195312
NPT1419	Organism	Tribolium castaneum	Tribolium castaneum	EC50	=	47.9	ppm	11879018
NPT1419	Organism	Tribolium castaneum	Tribolium castaneum	EC50	=	57.6	ppm	11879018
NPT1419	Organism	Tribolium castaneum	Tribolium castaneum	Activity	=	17.43	%	11879018
NPT1419	Organism	Tribolium castaneum	Tribolium castaneum	Activity	=	20.53	%	11879018
NPT1419	Organism	Tribolium castaneum	Tribolium castaneum	Activity	=	18.07	%	11879018

Showing 1 to 10 of 68 entries

Previous1 2 3 4 5 6 7Next

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 NPC269367 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	365
0.1-0.2	2437
0.2-0.3	9033
0.3-0.4	3194
0.4-0.5	9810
0.5-0.6	4892
0.6-0.7	995
0.7-0.8	142
0.8-0.85	11
0.85-0.9	4
0.9-0.95	4
0.95-1	2

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.6914	Remote Similarity	NPC258048
0.6916	Remote Similarity	NPC51388
0.6923	Remote Similarity	NPC203168
0.6934	Remote Similarity	NPC70259
0.6937	Remote Similarity	NPC477979

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC269367 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	294
0.1-0.2	731
0.2-0.3	1028
0.3-0.4	1262
0.4-0.5	2948
0.5-0.6	2133
0.6-0.7	688
0.7-0.8	76
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6618	Remote Similarity	NPD3504	Approved
0.6618	Remote Similarity	NPD3503	Approved
0.662	Remote Similarity	NPD3477	Phase 2
0.662	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD1392	Approved

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

External Identifiers

PubChem CID	68085
ChEMBL	CHEMBL22533
ZINC

Physicochemical Properties

Molecular Weight:	199.06
ALogP:	-0.2059
MLogP:	2.45
XLogP:	2.723
# Rotatable Bonds:	2
Polar Surface Area:	35.26
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	15

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs