NPASS Natural Product

Natural Product: NPC314693

Natural Product ID:	NPC314693
Common Name:	Naphthomycin L
IUPAC Name:
Synonyms:	Naphthomycin L
Molecular Formula:	C40H48N2O9
Standard InCHIKey:	JUWFHSXVGJIUPA-UMKVKWLOSA-N
Standard InCHI:	InChI=1S/C40H48N2O9/c1-20-11-9-8-10-12-23(4)40(51)42-34-33(41)39(50)31-28(38(34)49)18-26(7)37(48)32(31)36(47)25(6)17-24(5)35(46)22(3)14-16-27(43)15-13-21(2)30(45)19-29(20)44/h8-14,16-18,20,22,24,27,29,35,43-44,46,48H,15,19,41H2,1-7H3,(H,42,51)/b10-8-,11-9+,16-14+,21-13+,23-12-,25-17+/t20-,22-,24-,27-,29-,35-/m0/s1
Canonical SMILES:	O[C@@H]1/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(=O)c2c3C(=O)C(=C(C(=O)c3cc(c2O)C)N=C(/C(=CC=C/C=C/[C@@H]([C@H](CC(=O)/C(=C/C1)/C)O)C)/C)O)N
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
NPO32012	Streptomyces cs	Species	Streptomycetaceae	Bacteria				StreptomeDB*
NPO32848	Streptomyces sp. CS	Species	Streptomycetaceae	Bacteria				PMID[22742732]

Showing 1 to 2 of 2 entries

Previous1Next

Biological Activity

Activity Type	# Activity
MIC	5

Activity Type	# Activity
Organism	3
Others	2

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		MIC	=	600	ug/ml	22742732
NPT2781	Organism	Fusarium moniliforme	Gibberella moniliformis	MIC	=	300	ug/ml	22742732
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	600	ug/ml	22742732
NPT826	Organism	Magnaporthe oryzae	Magnaporthe oryzae	MIC	=	600	ug/ml	22742732

Showing 1 to 4 of 4 entries

Previous1Next

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 NPC314693 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	174
0.1-0.2	893
0.2-0.3	2460
0.3-0.4	6257
0.4-0.5	7345
0.5-0.6	9120
0.6-0.7	4339
0.7-0.8	294
0.8-0.85	1
0.85-0.9	2
0.9-0.95	4
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.7125	Intermediate Similarity	NPC237225
0.7125	Intermediate Similarity	NPC282923
0.7126	Intermediate Similarity	NPC37992
0.7126	Intermediate Similarity	NPC32749
0.7126	Intermediate Similarity	NPC471853

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 NPC314693 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	140
0.1-0.2	617
0.2-0.3	941
0.3-0.4	1992
0.4-0.5	3121
0.5-0.6	1956
0.6-0.7	366
0.7-0.8	28
0.8-0.85	0
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
0.625	Remote Similarity	NPD2209	Approved
0.625	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.625	Remote Similarity	NPD2211	Approved
0.625	Remote Similarity	NPD255	Approved
0.6256	Remote Similarity	NPD8486	Clinical (unspecified phase)

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

CID314693 OpenBabel06191716122D 51 53 0 0 1 0 0 0 0 0999 V2000 4.6621 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -5.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -3.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2142 -1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -3.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 -4.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 -2.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2142 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 -3.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7798 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 -4.2038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2872 -3.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -2.8025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3601 -1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 0.4740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0924 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 -2.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 -4.1425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7798 -3.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 -3.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -1.1213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -3.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 -0.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 -5.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -4.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 -4.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -1.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3988 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 4 23 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 20 1 0 0 0 0 12 23 2 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 27 1 0 0 0 0 16 27 1 0 0 0 0 17 24 1 0 0 0 0 17 25 2 0 0 0 0 18 26 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 1 1 6 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 3 1 6 0 0 0 22 35 1 0 0 0 0 23 40 1 0 0 0 0 24 5 1 1 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 27 43 1 6 0 0 0 28 31 2 0 0 0 0 28 38 1 0 0 0 0 29 44 1 1 0 0 0 30 45 2 0 0 0 0 31 32 1 0 0 0 0 31 39 1 0 0 0 0 32 36 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 39 1 0 0 0 0 33 41 1 0 0 0 0 34 38 1 0 0 0 0 34 42 1 0 0 0 0 35 46 1 6 0 0 0 36 47 2 0 0 0 0 37 48 1 0 0 0 0 38 49 2 0 0 0 0 39 50 2 0 0 0 0 40 42 2 3 0 0 0 40 51 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	60201879
ChEMBL	CHEMBL2172470
ZINC

Physicochemical Properties

Molecular Weight:	700.34
ALogP:	1.1737
MLogP:	4.65
XLogP:	2.308
# Rotatable Bonds:	13
Polar Surface Area:	207.81
# H-Bond Aceptor:	10
# H-Bond Donor:	6
# Rings:	2
# Heavy Atoms:	51

Download Data

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