Natural Product: NPC315059

Natural Product ID:  NPC315059
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H9NO5
Standard InCHIKey:  OXSZHYWOGQJUST-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)
Canonical SMILES:  OC(=N)C1=CC2C3C(O1)OC(=O)C2(O)C=C3
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
NPO21009.1 Streptomyces echinosporus mk-213 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO11943.3 Streptomyces albogriseolus a2 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT71 Cell Line HEK293 Homo sapiens EC50 > 59710 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 4275.63 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 2606.15 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 2910.72 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 3443.5 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 3672.82 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 2426.61 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 3890.45 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 1499.68 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 2382.32 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 3564.51 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 1815.52 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 32658.78 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 7294.58 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 2426.61 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 1883.65 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 2460.37 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 9057.33 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 8590.14 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 2460.37 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 22750.97 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 7638.36 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 13091.82 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 4073.8 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 1682.67 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 4017.91 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 2944.42 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 1828.1 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 2971.67 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 13551.89 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 1573.98 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 4325.14 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 2137.96 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 4064.43 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 3572.73 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 34673.69 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 12161.86 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 7979.95 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 3388.44 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 2624.22 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 3732.5 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 3435.58 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 3572.73 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 3280.95 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 13458.6 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 17906.06 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 3357.38 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 6067.36 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 2710.19 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 3265.88 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 11939.88 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 2924.15 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 3630.78 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 1807.17 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 2576.32 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 1798.87 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 2917.43 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 2312.06 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 2344.23 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 2523.48 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 3706.81 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 2909.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 3662.6 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 16833.6 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT1043 Individual Protein Glycoprotein hormones alpha chain Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20596.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5804.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5173.5 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 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 NPC315059 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.7255 Intermediate Similarity NPC241911
0.7238 Intermediate Similarity NPC13171
0.7238 Intermediate Similarity NPC195510
0.7048 Intermediate Similarity NPC255677
0.7048 Intermediate Similarity NPC22149
0.7048 Intermediate Similarity NPC306344
0.6981 Remote Similarity NPC28304
0.6981 Remote Similarity NPC298255
0.6961 Remote Similarity NPC61201
0.6944 Remote Similarity NPC86095
0.6916 Remote Similarity NPC250545
0.6852 Remote Similarity NPC197541
0.6852 Remote Similarity NPC118761
0.6852 Remote Similarity NPC267869
0.6852 Remote Similarity NPC284929
0.6852 Remote Similarity NPC234304
0.6837 Remote Similarity NPC220167
0.6837 Remote Similarity NPC136699
0.6818 Remote Similarity NPC254538
0.6818 Remote Similarity NPC474285
0.6759 Remote Similarity NPC261117
0.6759 Remote Similarity NPC310804
0.6759 Remote Similarity NPC222062
0.6667 Remote Similarity NPC101051
0.6667 Remote Similarity NPC170204
0.6602 Remote Similarity NPC307699
0.6602 Remote Similarity NPC117596
0.6602 Remote Similarity NPC6414
0.6602 Remote Similarity NPC303451
0.6566 Remote Similarity NPC211455
0.6566 Remote Similarity NPC188717
0.6538 Remote Similarity NPC472125
0.6538 Remote Similarity NPC472126
0.6538 Remote Similarity NPC472124
0.6514 Remote Similarity NPC20673
0.6481 Remote Similarity NPC151093
0.6476 Remote Similarity NPC280390
0.6471 Remote Similarity NPC142583
0.6455 Remote Similarity NPC471599
0.6422 Remote Similarity NPC244878
0.6408 Remote Similarity NPC137368
0.6404 Remote Similarity NPC133625
0.6364 Remote Similarity NPC4637
0.6364 Remote Similarity NPC98859
0.6364 Remote Similarity NPC219038
0.6355 Remote Similarity NPC469543
0.6346 Remote Similarity NPC478110
0.6337 Remote Similarity NPC32676
0.6296 Remote Similarity NPC161293
0.6275 Remote Similarity NPC477746
0.6275 Remote Similarity NPC477747
0.6273 Remote Similarity NPC324667
0.6239 Remote Similarity NPC472290
0.6226 Remote Similarity NPC472197
0.6226 Remote Similarity NPC472199
0.6226 Remote Similarity NPC473150
0.6226 Remote Similarity NPC294643
0.6226 Remote Similarity NPC274274
0.6226 Remote Similarity NPC9447
0.6214 Remote Similarity NPC278283
0.619 Remote Similarity NPC93190
0.619 Remote Similarity NPC50464
0.6176 Remote Similarity NPC475035
0.6168 Remote Similarity NPC320552
0.6132 Remote Similarity NPC65665
0.6132 Remote Similarity NPC231710
0.6132 Remote Similarity NPC470573
0.6132 Remote Similarity NPC216826
0.6132 Remote Similarity NPC120021
0.6132 Remote Similarity NPC327253
0.6132 Remote Similarity NPC270908
0.6117 Remote Similarity NPC471156
0.6111 Remote Similarity NPC475927
0.6111 Remote Similarity NPC472198
0.6111 Remote Similarity NPC475832
0.6095 Remote Similarity NPC473151
0.6095 Remote Similarity NPC150063
0.6095 Remote Similarity NPC119740
0.6091 Remote Similarity NPC474194
0.6075 Remote Similarity NPC477749
0.6068 Remote Similarity NPC472508
0.6055 Remote Similarity NPC241407
0.6055 Remote Similarity NPC291709
0.6053 Remote Similarity NPC307846
0.6053 Remote Similarity NPC474917
0.6053 Remote Similarity NPC305157
0.6038 Remote Similarity NPC477748
0.6036 Remote Similarity NPC473307
0.6034 Remote Similarity NPC472507
0.6034 Remote Similarity NPC475960
0.6019 Remote Similarity NPC266718
0.6017 Remote Similarity NPC126897
0.6017 Remote Similarity NPC297945
0.6 Remote Similarity NPC54731
0.6 Remote Similarity NPC74139
0.6 Remote Similarity NPC475037
0.6 Remote Similarity NPC45409
0.6 Remote Similarity NPC127235
0.6 Remote Similarity NPC321728
0.6 Remote Similarity NPC256230
0.6 Remote Similarity NPC306041
0.5983 Remote Similarity NPC313668
0.5983 Remote Similarity NPC315836
0.5982 Remote Similarity NPC473146
0.5981 Remote Similarity NPC202886
0.5981 Remote Similarity NPC477866
0.5981 Remote Similarity NPC477865
0.5981 Remote Similarity NPC214844
0.5968 Remote Similarity NPC469515
0.5963 Remote Similarity NPC25701
0.5963 Remote Similarity NPC2003
0.5962 Remote Similarity NPC470658
0.5952 Remote Similarity NPC469494
0.5946 Remote Similarity NPC476612
0.5946 Remote Similarity NPC20066
0.5946 Remote Similarity NPC153559
0.5946 Remote Similarity NPC476613
0.5935 Remote Similarity NPC314268
0.5935 Remote Similarity NPC67917
0.5935 Remote Similarity NPC313802
0.5935 Remote Similarity NPC477515
0.5929 Remote Similarity NPC287539
0.5929 Remote Similarity NPC476611
0.5929 Remote Similarity NPC154127
0.5929 Remote Similarity NPC3488
0.5905 Remote Similarity NPC149018
0.5905 Remote Similarity NPC478112
0.5905 Remote Similarity NPC171484
0.5902 Remote Similarity NPC23046
0.59 Remote Similarity NPC133377
0.5897 Remote Similarity NPC327106
0.5893 Remote Similarity NPC313440
0.5893 Remote Similarity NPC81483
0.5893 Remote Similarity NPC169468
0.5893 Remote Similarity NPC90819
0.5893 Remote Similarity NPC300584
0.5893 Remote Similarity NPC61630
0.5893 Remote Similarity NPC307517
0.5893 Remote Similarity NPC281608
0.5893 Remote Similarity NPC475284
0.5893 Remote Similarity NPC124181
0.5882 Remote Similarity NPC280367
0.5878 Remote Similarity NPC314361
0.5872 Remote Similarity NPC472195
0.5872 Remote Similarity NPC320089
0.5872 Remote Similarity NPC238090
0.5872 Remote Similarity NPC472196
0.5868 Remote Similarity NPC472274
0.5865 Remote Similarity NPC98276
0.5865 Remote Similarity NPC259296
0.5865 Remote Similarity NPC161670
0.5862 Remote Similarity NPC472749
0.5862 Remote Similarity NPC472751
0.5859 Remote Similarity NPC229655
0.5859 Remote Similarity NPC326661
0.5856 Remote Similarity NPC180722
0.5856 Remote Similarity NPC195645
0.5856 Remote Similarity NPC469528
0.5856 Remote Similarity NPC165332
0.5856 Remote Similarity NPC469369
0.5847 Remote Similarity NPC24389
0.5842 Remote Similarity NPC179933
0.5842 Remote Similarity NPC475210
0.5841 Remote Similarity NPC476211
0.5841 Remote Similarity NPC476320
0.584 Remote Similarity NPC170880
0.5833 Remote Similarity NPC174836
0.5833 Remote Similarity NPC274075
0.5826 Remote Similarity NPC472747
0.5826 Remote Similarity NPC197736
0.5826 Remote Similarity NPC472750
0.5826 Remote Similarity NPC475928
0.5826 Remote Similarity NPC37240
0.582 Remote Similarity NPC30196
0.5818 Remote Similarity NPC159698
0.5818 Remote Similarity NPC294293
0.5814 Remote Similarity NPC163783
0.5812 Remote Similarity NPC80338
0.5812 Remote Similarity NPC197813
0.5812 Remote Similarity NPC148270
0.581 Remote Similarity NPC475034
0.581 Remote Similarity NPC471494
0.581 Remote Similarity NPC470124
0.58 Remote Similarity NPC110813
0.58 Remote Similarity NPC474278
0.5798 Remote Similarity NPC46407
0.5789 Remote Similarity NPC216911
0.5789 Remote Similarity NPC198992
0.5789 Remote Similarity NPC27474
0.5789 Remote Similarity NPC476230
0.578 Remote Similarity NPC208839
0.5776 Remote Similarity NPC469869
0.5776 Remote Similarity NPC472748
0.5776 Remote Similarity NPC258532
0.5772 Remote Similarity NPC6531
0.5769 Remote Similarity NPC44261
0.5763 Remote Similarity NPC110701
0.5755 Remote Similarity NPC311163
0.5752 Remote Similarity NPC203627
0.5752 Remote Similarity NPC40182

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315059 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6017 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5859 Remote Similarity NPD8074 Phase 3
0.5856 Remote Similarity NPD7839 Suspended
0.584 Remote Similarity NPD8513 Phase 3
0.5826 Remote Similarity NPD1407 Approved
0.5769 Remote Similarity NPD6110 Phase 1
0.5755 Remote Similarity NPD4249 Approved
0.5752 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5748 Remote Similarity NPD7830 Approved
0.5748 Remote Similarity NPD7829 Approved
0.5714 Remote Similarity NPD8515 Approved
0.5714 Remote Similarity NPD8517 Approved
0.5714 Remote Similarity NPD8444 Approved
0.5714 Remote Similarity NPD8516 Approved
0.5703 Remote Similarity NPD8299 Approved
0.5703 Remote Similarity NPD8340 Approved
0.5703 Remote Similarity NPD8341 Approved
0.5703 Remote Similarity NPD8342 Approved
0.5701 Remote Similarity NPD4251 Approved
0.5701 Remote Similarity NPD4250 Approved
0.563 Remote Similarity NPD6686 Approved

Structure

External Identifiers

PubChem CID   434786
ChEMBL   CHEMBL1893777
ZINC  

Physicochemical Properties

Molecular Weight:  223.05
ALogP:  -0.7914
MLogP:  1.9
XLogP:  0.422
# Rotatable Bonds:  3
Polar Surface Area:  99.84
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  16

Download Data

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