NPASS Natural Product

Natural Product: NPC96565

Natural Product ID:	NPC96565
Common Name:	Kuwanon C
IUPAC Name:	2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
Synonyms:	Kuwanon C; Norartocarpin
Molecular Formula:	C25H26O6
Standard InCHIKey:	UWQYBLOHTQWSQD-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
Canonical SMILES:	CC(=CCc1c(oc2c(c1=O)c(O)cc(c2CC=C(C)C)O)c1ccc(cc1O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Show entries

Search:

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO11796	Morus australis	Species	Moraceae	Eukaryota				TCMID*
NPO11796	Morus australis	Species	Moraceae	Eukaryota				PMID[9358644]
NPO11796	Morus australis	Species	Moraceae	Eukaryota				HerDing*
NPO16194	Morus bombycis	Species	Moraceae	Eukaryota				TM-MC*
NPO23880	Ramulus mori	Species	Phasmatidae	Eukaryota				TCMSP*
NPO24260	Sapindi mukorossiperic arpium	NA	NA	NA				TCMSP*
NPO26579	Artocarpus fretessi	Species	Moraceae	Eukaryota				HerDing*
NPO26579	Artocarpus fretessi	Species	Moraceae	Eukaryota				TCMID*
NPO28265	Morus alba	Species	Moraceae	Eukaryota	root bark	University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic	2011-APR	PMID[24901948]
NPO28265	Morus alba	Species	Moraceae	Eukaryota				HerDing*

Showing 1 to 10 of 21 entries

Previous1 2 3Next

Biological Activity

Activity Type	# Activity
IC50	7
Ki	2
Others	11

Activity Type	# Activity
Cell Line	1
Individual Protein	8
Others	11

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	Inhibition	=	72.5	%	25935644
NPT1120	Individual Protein	Pancreatic triacylglycerol lipase	Sus scrofa	IC50	=	18600	nM	25935644
NPT1970	Cell Line	THP-1	Homo sapiens	IC50	=	1700	nM	24901948
NPT2	Others	Unspecified		Activity	=	5.9	%	9358644
NPT2	Others	Unspecified		Activity	=	60.2	%	9358644
NPT2	Others	Unspecified		Activity	=	83.9	%	9358644
NPT2	Others	Unspecified		Activity	=	54.8	%	9358644
NPT2	Others	Unspecified		Activity	=	0	%	9358644
NPT2	Others	Unspecified		Activity	=	5.5	%	9358644
NPT2	Others	Unspecified		Activity	=	26.9	%	9358644

Showing 1 to 10 of 19 entries

Previous1 2Next

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 NPC96565 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	257
0.1-0.2	1263
0.2-0.3	2459
0.3-0.4	6499
0.4-0.5	6623
0.5-0.6	2474
0.6-0.7	4349
0.7-0.8	3752
0.8-0.85	1339
0.85-0.9	1112
0.9-0.95	570
0.95-1	192

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.9496	High Similarity	NPC257236
0.9496	High Similarity	NPC236766
0.9496	High Similarity	NPC473015
0.9496	High Similarity	NPC131568
0.9496	High Similarity	NPC473013

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 NPC96565 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	289
0.1-0.2	930
0.2-0.3	1330
0.3-0.4	2390
0.4-0.5	2200
0.5-0.6	1276
0.6-0.7	515
0.7-0.8	155
0.8-0.85	50
0.85-0.9	18
0.9-0.95	7
0.95-1	1

Show entries

Search:

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7095	Intermediate Similarity	NPD2861	Phase 2
0.7097	Intermediate Similarity	NPD2424	Discontinued
0.711	Intermediate Similarity	NPD8313	Approved
0.711	Intermediate Similarity	NPD8312	Approved
0.7113	Intermediate Similarity	NPD1894	Discontinued

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

CID96565 OpenBabel06191715432D 31 33 0 0 0 0 0 0 0 0999 V2000 1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 25 2 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 30 2 0 0 0 0 24 31 1 0 0 0 0 25 31 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5481958
ChEMBL	CHEMBL518543
ZINC

Physicochemical Properties

Molecular Weight:	422.17
ALogP:	1.3211
MLogP:	3.55
XLogP:	3.697
# Rotatable Bonds:	13
Polar Surface Area:	107.22
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	31

Download Data

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