Natural Product: NPC231198

Natural Product ID:  NPC231198
Common Name:   n.a.
IUPAC Name:  
Synonyms:   8-Oxo-Erythraline
Molecular Formula:   C18H17NO4
Standard InCHIKey:  RNCIERMYMLFYAO-UGSOOPFHSA-N
Standard InCHI:  InChI=1S/C18H17NO4/c1-21-13-3-2-12-7-17(20)19-5-4-11-6-15-16(23-10-22-15)8-14(11)18(12,19)9-13/h2-3,6-8,13H,4-5,9-10H2,1H3/t13-,18-/m0/s1
Canonical SMILES:  CO[C@H]1C=CC2=CC(=O)N3[C@]2(C1)c1cc2OCOc2cc1CC3
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
NPO20031 Erythrina velutina Species Fabaceae Eukaryota PMID[19026536]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 = 22 ug/ml 18345642
NPT15 Cell Line Jurkat Homo sapiens IC50 > 50 ug/ml 10.1039/C5MD00377F
NPT15 Cell Line Jurkat Homo sapiens Inhibition = 37 % 18163584

  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 NPC231198 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
0.9408 High Similarity NPC148898
0.8947 High Similarity NPC130926
0.8917 High Similarity NPC78733
0.8903 High Similarity NPC223125
0.879 High Similarity NPC223124
0.8774 High Similarity NPC475959
0.875 High Similarity NPC106786
0.8704 High Similarity NPC59567
0.8698 High Similarity NPC102760
0.8662 High Similarity NPC274026
0.8659 High Similarity NPC474324
0.8659 High Similarity NPC57812
0.8606 High Similarity NPC475845
0.858 High Similarity NPC215829
0.858 High Similarity NPC97072
0.8562 High Similarity NPC216459
0.8562 High Similarity NPC41178
0.8562 High Similarity NPC138487
0.8554 High Similarity NPC474708
0.8553 High Similarity NPC82285
0.8553 High Similarity NPC210148
0.8553 High Similarity NPC133011
0.8553 High Similarity NPC233029
0.8509 High Similarity NPC234392
0.8509 High Similarity NPC31311
0.8509 High Similarity NPC146288
0.8494 Intermediate Similarity NPC241055
0.8494 Intermediate Similarity NPC266176
0.8494 Intermediate Similarity NPC82533
0.8494 Intermediate Similarity NPC158148
0.8494 Intermediate Similarity NPC290759
0.8462 Intermediate Similarity NPC474470
0.8443 Intermediate Similarity NPC75958
0.8434 Intermediate Similarity NPC100566
0.8421 Intermediate Similarity NPC7018
0.8405 Intermediate Similarity NPC59028
0.8405 Intermediate Similarity NPC92191
0.8402 Intermediate Similarity NPC304675
0.8402 Intermediate Similarity NPC49353
0.8393 Intermediate Similarity NPC477640
0.8393 Intermediate Similarity NPC225597
0.8393 Intermediate Similarity NPC470739
0.8383 Intermediate Similarity NPC58766
0.8383 Intermediate Similarity NPC475686
0.8375 Intermediate Similarity NPC476579
0.8366 Intermediate Similarity NPC252107
0.8364 Intermediate Similarity NPC320104
0.8353 Intermediate Similarity NPC237044
0.8333 Intermediate Similarity NPC169387
0.8333 Intermediate Similarity NPC474475
0.8333 Intermediate Similarity NPC477259
0.8333 Intermediate Similarity NPC93593
0.8323 Intermediate Similarity NPC213206
0.8323 Intermediate Similarity NPC188163
0.8323 Intermediate Similarity NPC474915
0.8323 Intermediate Similarity NPC328750
0.8323 Intermediate Similarity NPC190332
0.8323 Intermediate Similarity NPC181653
0.8313 Intermediate Similarity NPC247972
0.8304 Intermediate Similarity NPC474325
0.8301 Intermediate Similarity NPC99078
0.8294 Intermediate Similarity NPC187678
0.8293 Intermediate Similarity NPC477080
0.8263 Intermediate Similarity NPC476002
0.8258 Intermediate Similarity NPC314682
0.8256 Intermediate Similarity NPC474745
0.8247 Intermediate Similarity NPC220923
0.8247 Intermediate Similarity NPC470707
0.8235 Intermediate Similarity NPC277042
0.8235 Intermediate Similarity NPC205178
0.8235 Intermediate Similarity NPC230698
0.8235 Intermediate Similarity NPC255817
0.8235 Intermediate Similarity NPC196609
0.8235 Intermediate Similarity NPC251454
0.8235 Intermediate Similarity NPC73883
0.8235 Intermediate Similarity NPC136330
0.8232 Intermediate Similarity NPC475326
0.8218 Intermediate Similarity NPC116007
0.8204 Intermediate Similarity NPC238530
0.8204 Intermediate Similarity NPC276944
0.8204 Intermediate Similarity NPC306669
0.8204 Intermediate Similarity NPC232514
0.8204 Intermediate Similarity NPC168409
0.8182 Intermediate Similarity NPC111485
0.8182 Intermediate Similarity NPC237579
0.8176 Intermediate Similarity NPC65403
0.8171 Intermediate Similarity NPC147091
0.817 Intermediate Similarity NPC167096
0.815 Intermediate Similarity NPC27887
0.815 Intermediate Similarity NPC244554
0.8133 Intermediate Similarity NPC266753
0.8133 Intermediate Similarity NPC306902
0.8133 Intermediate Similarity NPC477559
0.8133 Intermediate Similarity NPC232924
0.8133 Intermediate Similarity NPC160298
0.8129 Intermediate Similarity NPC2314
0.8129 Intermediate Similarity NPC95366
0.8129 Intermediate Similarity NPC248505
0.8125 Intermediate Similarity NPC51957
0.8125 Intermediate Similarity NPC106295
0.8125 Intermediate Similarity NPC16107
0.8125 Intermediate Similarity NPC476144
0.8125 Intermediate Similarity NPC210437
0.8118 Intermediate Similarity NPC311991
0.8114 Intermediate Similarity NPC475981
0.8114 Intermediate Similarity NPC474746
0.8114 Intermediate Similarity NPC83511
0.8101 Intermediate Similarity NPC476567
0.8101 Intermediate Similarity NPC136860
0.8101 Intermediate Similarity NPC128019
0.8098 Intermediate Similarity NPC471073
0.8098 Intermediate Similarity NPC270811
0.8092 Intermediate Similarity NPC148693
0.8092 Intermediate Similarity NPC118633
0.8092 Intermediate Similarity NPC294790
0.8075 Intermediate Similarity NPC7467
0.8072 Intermediate Similarity NPC118804
0.8065 Intermediate Similarity NPC145446
0.8065 Intermediate Similarity NPC137172
0.8056 Intermediate Similarity NPC477258
0.8047 Intermediate Similarity NPC476432
0.8047 Intermediate Similarity NPC24264
0.8036 Intermediate Similarity NPC218614
0.8026 Intermediate Similarity NPC160193
0.8024 Intermediate Similarity NPC205167
0.8023 Intermediate Similarity NPC230098
0.8023 Intermediate Similarity NPC4669
0.8011 Intermediate Similarity NPC24228
0.8 Intermediate Similarity NPC96406
0.8 Intermediate Similarity NPC247389
0.8 Intermediate Similarity NPC76079
0.8 Intermediate Similarity NPC210918
0.8 Intermediate Similarity NPC185838
0.7989 Intermediate Similarity NPC475597
0.7989 Intermediate Similarity NPC473716
0.7988 Intermediate Similarity NPC302527
0.7988 Intermediate Similarity NPC476580
0.7988 Intermediate Similarity NPC225774
0.7988 Intermediate Similarity NPC167546
0.7988 Intermediate Similarity NPC16805
0.7963 Intermediate Similarity NPC135538
0.7963 Intermediate Similarity NPC428
0.7963 Intermediate Similarity NPC246587
0.7963 Intermediate Similarity NPC476571
0.7963 Intermediate Similarity NPC147390
0.7963 Intermediate Similarity NPC24233
0.7963 Intermediate Similarity NPC59907
0.7963 Intermediate Similarity NPC37144
0.7941 Intermediate Similarity NPC219341
0.7935 Intermediate Similarity NPC94280
0.7935 Intermediate Similarity NPC159150
0.7935 Intermediate Similarity NPC328419
0.7935 Intermediate Similarity NPC193673
0.7935 Intermediate Similarity NPC103947
0.7935 Intermediate Similarity NPC45783
0.7931 Intermediate Similarity NPC222524
0.7917 Intermediate Similarity NPC165797
0.7917 Intermediate Similarity NPC4304
0.7917 Intermediate Similarity NPC249274
0.7901 Intermediate Similarity NPC191376
0.7901 Intermediate Similarity NPC321505
0.7901 Intermediate Similarity NPC476151
0.7901 Intermediate Similarity NPC179825
0.7898 Intermediate Similarity NPC225745
0.7895 Intermediate Similarity NPC252960
0.7895 Intermediate Similarity NPC298979
0.7889 Intermediate Similarity NPC63152
0.7886 Intermediate Similarity NPC15919
0.7885 Intermediate Similarity NPC180647
0.7882 Intermediate Similarity NPC180306
0.7877 Intermediate Similarity NPC166979
0.7874 Intermediate Similarity NPC308267
0.787 Intermediate Similarity NPC24954
0.7861 Intermediate Similarity NPC67978
0.7861 Intermediate Similarity NPC303581
0.7853 Intermediate Similarity NPC116284
0.7849 Intermediate Similarity NPC86469
0.7844 Intermediate Similarity NPC57512
0.7841 Intermediate Similarity NPC220961
0.7836 Intermediate Similarity NPC86144
0.7836 Intermediate Similarity NPC304659
0.7834 Intermediate Similarity NPC469808
0.7834 Intermediate Similarity NPC416184
0.7829 Intermediate Similarity NPC283999
0.7829 Intermediate Similarity NPC241704
0.7824 Intermediate Similarity NPC476569
0.7818 Intermediate Similarity NPC119669
0.7818 Intermediate Similarity NPC8337
0.7818 Intermediate Similarity NPC85747
0.7807 Intermediate Similarity NPC268077
0.7806 Intermediate Similarity NPC217574
0.7805 Intermediate Similarity NPC219162
0.7805 Intermediate Similarity NPC103379
0.7805 Intermediate Similarity NPC477565
0.779 Intermediate Similarity NPC226708
0.7785 Intermediate Similarity NPC253429
0.7784 Intermediate Similarity NPC469817
0.7784 Intermediate Similarity NPC295691
0.7784 Intermediate Similarity NPC477560
0.7784 Intermediate Similarity NPC5238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC231198 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
0.8323 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD2492 Phase 1
0.8125 Intermediate Similarity NPD4584 Approved
0.8023 Intermediate Similarity NPD5312 Approved
0.8023 Intermediate Similarity NPD5313 Approved
0.7941 Intermediate Similarity NPD4166 Phase 2
0.7914 Intermediate Similarity NPD3640 Phase 3
0.7914 Intermediate Similarity NPD3641 Approved
0.7914 Intermediate Similarity NPD3639 Approved
0.7898 Intermediate Similarity NPD7281 Phase 3
0.7898 Intermediate Similarity NPD7280 Phase 3
0.7888 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD6107 Approved
0.7831 Intermediate Similarity NPD4772 Phase 2
0.7831 Intermediate Similarity NPD4773 Phase 2
0.7826 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD4420 Approved
0.7746 Intermediate Similarity NPD2898 Approved
0.7711 Intermediate Similarity NPD4017 Approved
0.7701 Intermediate Similarity NPD5005 Approved
0.7701 Intermediate Similarity NPD5006 Approved
0.7697 Intermediate Similarity NPD6030 Approved
0.7697 Intermediate Similarity NPD6031 Approved
0.7651 Intermediate Similarity NPD4210 Discontinued
0.7644 Intermediate Similarity NPD4481 Phase 3
0.7637 Intermediate Similarity NPD5525 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD6297 Approved
0.7574 Intermediate Similarity NPD7298 Approved
0.7571 Intermediate Similarity NPD3885 Approved
0.7564 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD6851 Approved
0.7556 Intermediate Similarity NPD6853 Approved
0.7529 Intermediate Similarity NPD6071 Discontinued
0.7515 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7110 Phase 1
0.7485 Intermediate Similarity NPD5978 Approved
0.7485 Intermediate Similarity NPD2560 Approved
0.7485 Intermediate Similarity NPD5977 Approved
0.7485 Intermediate Similarity NPD2563 Approved
0.7473 Intermediate Similarity NPD5582 Discontinued
0.7468 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD7291 Discontinued
0.7405 Intermediate Similarity NPD5718 Phase 2
0.7396 Intermediate Similarity NPD7607 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD5241 Discontinued
0.7381 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD6618 Phase 2
0.7346 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD3349 Phase 2
0.7318 Intermediate Similarity NPD8156 Discontinued
0.7314 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD5297 Approved
0.7288 Intermediate Similarity NPD2969 Approved
0.7288 Intermediate Similarity NPD2970 Approved
0.7287 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5967 Approved
0.7278 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD8251 Approved
0.7263 Intermediate Similarity NPD8099 Discontinued
0.7263 Intermediate Similarity NPD8252 Approved
0.7251 Intermediate Similarity NPD6876 Approved
0.7251 Intermediate Similarity NPD6875 Approved
0.7249 Intermediate Similarity NPD5564 Approved
0.7247 Intermediate Similarity NPD27 Approved
0.7247 Intermediate Similarity NPD2489 Approved
0.7232 Intermediate Similarity NPD4010 Discontinued
0.7232 Intermediate Similarity NPD3051 Approved
0.7225 Intermediate Similarity NPD2977 Approved
0.7225 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD2978 Approved
0.7225 Intermediate Similarity NPD5457 Discontinued
0.7219 Intermediate Similarity NPD7296 Approved
0.7202 Intermediate Similarity NPD3124 Discontinued
0.72 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7833 Phase 2
0.72 Intermediate Similarity NPD7831 Phase 2
0.7193 Intermediate Similarity NPD824 Approved
0.7186 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD6895 Approved
0.7178 Intermediate Similarity NPD6896 Approved
0.7176 Intermediate Similarity NPD4727 Phase 1
0.7175 Intermediate Similarity NPD7802 Discontinued
0.7168 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4859 Phase 1
0.7143 Intermediate Similarity NPD6788 Approved
0.7091 Intermediate Similarity NPD2161 Phase 2
0.707 Intermediate Similarity NPD1421 Approved
0.707 Intermediate Similarity NPD1420 Approved
0.7066 Intermediate Similarity NPD4237 Approved
0.7066 Intermediate Similarity NPD4236 Phase 3
0.7062 Intermediate Similarity NPD7400 Phase 3
0.7059 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1424 Approved
0.7048 Intermediate Similarity NPD3656 Approved
0.7048 Intermediate Similarity NPD1375 Discontinued
0.7041 Intermediate Similarity NPD2120 Phase 2
0.7027 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD2971 Approved
0.7027 Intermediate Similarity NPD2968 Approved
0.7024 Intermediate Similarity NPD5754 Discontinued
0.7024 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7235 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5604 Discontinued
0.7006 Intermediate Similarity NPD1309 Phase 2
0.7006 Intermediate Similarity NPD1307 Phase 2
0.7 Intermediate Similarity NPD6688 Approved
0.7 Intermediate Similarity NPD6687 Approved
0.6994 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6989 Remote Similarity NPD8053 Approved
0.6989 Remote Similarity NPD8054 Approved
0.6984 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6977 Remote Similarity NPD1670 Discontinued
0.6971 Remote Similarity NPD7248 Discontinued
0.6964 Remote Similarity NPD4162 Approved
0.6964 Remote Similarity NPD5177 Phase 3
0.6961 Remote Similarity NPD8318 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5087 Clinical (unspecified phase)
0.6943 Remote Similarity NPD3705 Approved
0.6935 Remote Similarity NPD7313 Approved
0.6935 Remote Similarity NPD7310 Approved
0.6935 Remote Similarity NPD7311 Approved
0.6935 Remote Similarity NPD7312 Approved
0.6935 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4475 Approved
0.6933 Remote Similarity NPD4474 Approved
0.6932 Remote Similarity NPD5773 Approved
0.6932 Remote Similarity NPD5772 Approved
0.6927 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6927 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6927 Remote Similarity NPD2904 Discontinued
0.6927 Remote Similarity NPD5677 Discontinued
0.6923 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6385 Approved
0.6914 Remote Similarity NPD6386 Approved
0.6909 Remote Similarity NPD2653 Approved
0.6906 Remote Similarity NPD2388 Discontinued
0.6906 Remote Similarity NPD5242 Approved
0.6905 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7309 Approved
0.6898 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3866 Clinical (unspecified phase)
0.689 Remote Similarity NPD3110 Approved
0.689 Remote Similarity NPD3109 Approved
0.6878 Remote Similarity NPD4157 Discontinued
0.6878 Remote Similarity NPD7906 Approved
0.6875 Remote Similarity NPD6493 Phase 3
0.6872 Remote Similarity NPD4107 Approved
0.6868 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6867 Remote Similarity NPD743 Approved
0.6864 Remote Similarity NPD3060 Approved
0.6848 Remote Similarity NPD5600 Discontinued
0.6842 Remote Similarity NPD7124 Phase 2
0.6836 Remote Similarity NPD4585 Approved
0.6829 Remote Similarity NPD2674 Phase 3
0.6826 Remote Similarity NPD4108 Discontinued
0.6818 Remote Similarity NPD6873 Phase 2
0.6814 Remote Similarity NPD7047 Phase 3
0.6813 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6811 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6811 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6806 Remote Similarity NPD2490 Approved
0.6806 Remote Similarity NPD2488 Approved
0.6782 Remote Similarity NPD5976 Discontinued
0.678 Remote Similarity NPD3382 Approved
0.678 Remote Similarity NPD3384 Approved
0.678 Remote Similarity NPD3383 Approved
0.6779 Remote Similarity NPD6997 Phase 2
0.677 Remote Similarity NPD4098 Discontinued
0.676 Remote Similarity NPD4581 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6755 Remote Similarity NPD4578 Approved
0.6755 Remote Similarity NPD4577 Approved
0.6751 Remote Similarity NPD4482 Phase 3
0.6749 Remote Similarity NPD3815 Phase 1
0.6749 Remote Similarity NPD3816 Phase 1
0.6739 Remote Similarity NPD5966 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4663 Approved
0.6727 Remote Similarity NPD3531 Approved
0.6727 Remote Similarity NPD2245 Discovery
0.6727 Remote Similarity NPD3532 Approved
0.6727 Remote Similarity NPD3530 Approved
0.6726 Remote Similarity NPD1753 Discontinued
0.6725 Remote Similarity NPD6748 Discontinued
0.6725 Remote Similarity NPD6331 Phase 2
0.6724 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6718 Remote Similarity NPD2973 Approved
0.6718 Remote Similarity NPD2974 Approved
0.6718 Remote Similarity NPD2975 Approved
0.6709 Remote Similarity NPD2668 Approved
0.6709 Remote Similarity NPD2667 Approved
0.6705 Remote Similarity NPD2420 Approved
0.6705 Remote Similarity NPD2421 Approved
0.6702 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2238 Phase 2

Structure

External Identifiers

PubChem CID   21599256
ChEMBL   CHEMBL463877
ZINC  

Physicochemical Properties

Molecular Weight:  311.12
ALogP:  -0.1685
MLogP:  2.89
XLogP:  1.046
# Rotatable Bonds:  2
Polar Surface Area:  48
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  23

Download Data

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