Natural Product: NPC187678

Natural Product ID:  NPC187678
Common Name:   Ungiminorine
IUPAC Name:  
Synonyms:   Ungiminorine
Molecular Formula:   C17H19NO5
Standard InCHIKey:  ZQLQBAUVRGDBJL-BIVLZKPYSA-N
Standard InCHI:  InChI=1S/C17H19NO5/c1-21-17-15(19)9-2-3-18-6-8-4-11-12(23-7-22-11)5-10(8)13(14(9)18)16(17)20/h2,4-5,13-17,19-20H,3,6-7H2,1H3/t13-,14+,15+,16-,17-/m0/s1
Canonical SMILES:  CO[C@H]1[C@H](O)C2=CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3
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
NPO32885 narcissus ‘sir winston churchill' NA Amaryllidaceae Eukaryota PMID[10869205]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 86000 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 NPC187678 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
0.9325 High Similarity NPC311991
0.9321 High Similarity NPC100566
0.9277 High Similarity NPC15919
0.9202 High Similarity NPC190332
0.9202 High Similarity NPC181653
0.9048 High Similarity NPC148693
0.9048 High Similarity NPC294790
0.9048 High Similarity NPC118633
0.9036 High Similarity NPC65403
0.9018 High Similarity NPC320104
0.9006 High Similarity NPC9867
0.8988 High Similarity NPC237044
0.8935 High Similarity NPC474325
0.8929 High Similarity NPC304675
0.8882 High Similarity NPC474745
0.8869 High Similarity NPC2314
0.8837 High Similarity NPC474746
0.8837 High Similarity NPC475981
0.881 High Similarity NPC470739
0.881 High Similarity NPC477640
0.881 High Similarity NPC225597
0.8802 High Similarity NPC475686
0.8802 High Similarity NPC82533
0.8802 High Similarity NPC266176
0.8802 High Similarity NPC158148
0.8802 High Similarity NPC58766
0.8802 High Similarity NPC290759
0.878 High Similarity NPC205167
0.878 High Similarity NPC249274
0.8772 High Similarity NPC244554
0.875 High Similarity NPC474475
0.8706 High Similarity NPC49353
0.8683 High Similarity NPC476002
0.8671 High Similarity NPC275132
0.8667 High Similarity NPC97072
0.8667 High Similarity NPC215829
0.8667 High Similarity NPC4304
0.8642 High Similarity NPC148898
0.8639 High Similarity NPC75958
0.8631 High Similarity NPC57812
0.8631 High Similarity NPC474324
0.8629 High Similarity NPC230098
0.8623 High Similarity NPC232514
0.8623 High Similarity NPC238530
0.8623 High Similarity NPC276944
0.8606 High Similarity NPC92191
0.8606 High Similarity NPC111485
0.8606 High Similarity NPC59028
0.8596 High Similarity NPC128560
0.8596 High Similarity NPC229166
0.8596 High Similarity NPC199465
0.858 High Similarity NPC475845
0.8563 High Similarity NPC248642
0.8555 High Similarity NPC126284
0.8547 High Similarity NPC474470
0.8529 High Similarity NPC474708
0.8523 High Similarity NPC214116
0.8519 High Similarity NPC274026
0.8514 High Similarity NPC156576
0.8509 High Similarity NPC475959
0.8497 Intermediate Similarity NPC320223
0.8497 Intermediate Similarity NPC114364
0.8485 Intermediate Similarity NPC146288
0.8424 Intermediate Similarity NPC216459
0.8424 Intermediate Similarity NPC78733
0.8424 Intermediate Similarity NPC41178
0.8424 Intermediate Similarity NPC138487
0.8415 Intermediate Similarity NPC210148
0.8415 Intermediate Similarity NPC133011
0.8415 Intermediate Similarity NPC233029
0.8415 Intermediate Similarity NPC82285
0.8412 Intermediate Similarity NPC210918
0.8402 Intermediate Similarity NPC180306
0.8402 Intermediate Similarity NPC16805
0.8402 Intermediate Similarity NPC24465
0.8402 Intermediate Similarity NPC302527
0.8402 Intermediate Similarity NPC167546
0.8373 Intermediate Similarity NPC147091
0.8373 Intermediate Similarity NPC234392
0.8373 Intermediate Similarity NPC31311
0.8372 Intermediate Similarity NPC149090
0.8372 Intermediate Similarity NPC19520
0.8353 Intermediate Similarity NPC476432
0.8353 Intermediate Similarity NPC13916
0.8353 Intermediate Similarity NPC264850
0.8353 Intermediate Similarity NPC24264
0.8352 Intermediate Similarity NPC116284
0.8324 Intermediate Similarity NPC82763
0.8304 Intermediate Similarity NPC304846
0.8304 Intermediate Similarity NPC247389
0.8304 Intermediate Similarity NPC252960
0.8304 Intermediate Similarity NPC298979
0.8295 Intermediate Similarity NPC476574
0.8295 Intermediate Similarity NPC155442
0.8295 Intermediate Similarity NPC477561
0.8295 Intermediate Similarity NPC312918
0.8294 Intermediate Similarity NPC89199
0.8294 Intermediate Similarity NPC54125
0.8294 Intermediate Similarity NPC231198
0.8294 Intermediate Similarity NPC225774
0.8282 Intermediate Similarity NPC59907
0.8282 Intermediate Similarity NPC428
0.8282 Intermediate Similarity NPC37144
0.8282 Intermediate Similarity NPC24233
0.8282 Intermediate Similarity NPC135538
0.8282 Intermediate Similarity NPC147390
0.8282 Intermediate Similarity NPC476571
0.8282 Intermediate Similarity NPC246587
0.8268 Intermediate Similarity NPC186546
0.8268 Intermediate Similarity NPC476576
0.8256 Intermediate Similarity NPC83198
0.8256 Intermediate Similarity NPC204908
0.8249 Intermediate Similarity NPC233718
0.8246 Intermediate Similarity NPC219341
0.8235 Intermediate Similarity NPC218614
0.8232 Intermediate Similarity NPC24260
0.8232 Intermediate Similarity NPC117717
0.8232 Intermediate Similarity NPC103379
0.8232 Intermediate Similarity NPC477565
0.8221 Intermediate Similarity NPC476151
0.8221 Intermediate Similarity NPC191376
0.8221 Intermediate Similarity NPC321505
0.8221 Intermediate Similarity NPC179825
0.8212 Intermediate Similarity NPC57036
0.821 Intermediate Similarity NPC185838
0.821 Intermediate Similarity NPC130926
0.8204 Intermediate Similarity NPC249797
0.8204 Intermediate Similarity NPC184026
0.8204 Intermediate Similarity NPC469817
0.8204 Intermediate Similarity NPC295691
0.8204 Intermediate Similarity NPC110416
0.8204 Intermediate Similarity NPC276588
0.8204 Intermediate Similarity NPC278799
0.8204 Intermediate Similarity NPC5238
0.8204 Intermediate Similarity NPC39701
0.8204 Intermediate Similarity NPC172765
0.8204 Intermediate Similarity NPC127674
0.8204 Intermediate Similarity NPC189266
0.8204 Intermediate Similarity NPC54379
0.8204 Intermediate Similarity NPC2413
0.8204 Intermediate Similarity NPC193949
0.8204 Intermediate Similarity NPC207757
0.8204 Intermediate Similarity NPC204828
0.8202 Intermediate Similarity NPC135772
0.8198 Intermediate Similarity NPC301189
0.8198 Intermediate Similarity NPC150879
0.8198 Intermediate Similarity NPC298186
0.8192 Intermediate Similarity NPC474607
0.8187 Intermediate Similarity NPC253043
0.8187 Intermediate Similarity NPC196447
0.8187 Intermediate Similarity NPC136508
0.8187 Intermediate Similarity NPC477563
0.8187 Intermediate Similarity NPC247972
0.8187 Intermediate Similarity NPC78222
0.8187 Intermediate Similarity NPC212794
0.8187 Intermediate Similarity NPC13504
0.8187 Intermediate Similarity NPC306843
0.8187 Intermediate Similarity NPC96603
0.8182 Intermediate Similarity NPC220858
0.8182 Intermediate Similarity NPC88249
0.8182 Intermediate Similarity NPC97221
0.8182 Intermediate Similarity NPC151895
0.8182 Intermediate Similarity NPC192768
0.8166 Intermediate Similarity NPC477080
0.8161 Intermediate Similarity NPC239775
0.8146 Intermediate Similarity NPC474650
0.8146 Intermediate Similarity NPC476575
0.8129 Intermediate Similarity NPC324144
0.8118 Intermediate Similarity NPC266753
0.8118 Intermediate Similarity NPC165797
0.8118 Intermediate Similarity NPC477559
0.8118 Intermediate Similarity NPC232924
0.8118 Intermediate Similarity NPC160298
0.8118 Intermediate Similarity NPC306902
0.8114 Intermediate Similarity NPC152680
0.8114 Intermediate Similarity NPC110374
0.8114 Intermediate Similarity NPC228040
0.8114 Intermediate Similarity NPC190783
0.8114 Intermediate Similarity NPC289743
0.8114 Intermediate Similarity NPC232386
0.8107 Intermediate Similarity NPC129603
0.8107 Intermediate Similarity NPC475326
0.8103 Intermediate Similarity NPC6152
0.8095 Intermediate Similarity NPC93593
0.8092 Intermediate Similarity NPC12053
0.8092 Intermediate Similarity NPC117188
0.8092 Intermediate Similarity NPC205421
0.8092 Intermediate Similarity NPC145832
0.8092 Intermediate Similarity NPC158376
0.8092 Intermediate Similarity NPC474931
0.8092 Intermediate Similarity NPC81218
0.8092 Intermediate Similarity NPC306555
0.8084 Intermediate Similarity NPC223124
0.8077 Intermediate Similarity NPC475754
0.8075 Intermediate Similarity NPC328750
0.8075 Intermediate Similarity NPC213206
0.8075 Intermediate Similarity NPC188163
0.8075 Intermediate Similarity NPC474915
0.8068 Intermediate Similarity NPC477558
0.8068 Intermediate Similarity NPC329969

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC187678 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
0.8198 Intermediate Similarity NPD2970 Approved
0.8198 Intermediate Similarity NPD2969 Approved
0.8144 Intermediate Similarity NPD4772 Phase 2
0.8144 Intermediate Similarity NPD4773 Phase 2
0.814 Intermediate Similarity NPD3051 Approved
0.8075 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.8046 Intermediate Similarity NPD27 Approved
0.8046 Intermediate Similarity NPD2489 Approved
0.8035 Intermediate Similarity NPD6071 Discontinued
0.8 Intermediate Similarity NPD2560 Approved
0.8 Intermediate Similarity NPD4584 Approved
0.8 Intermediate Similarity NPD2563 Approved
0.7857 Intermediate Similarity NPD4663 Approved
0.7845 Intermediate Similarity NPD8054 Approved
0.7845 Intermediate Similarity NPD8053 Approved
0.7836 Intermediate Similarity NPD2977 Approved
0.7836 Intermediate Similarity NPD2978 Approved
0.7836 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD7906 Approved
0.779 Intermediate Similarity NPD7312 Approved
0.779 Intermediate Similarity NPD7311 Approved
0.779 Intermediate Similarity NPD7310 Approved
0.779 Intermediate Similarity NPD4578 Approved
0.779 Intermediate Similarity NPD7313 Approved
0.779 Intermediate Similarity NPD4577 Approved
0.7747 Intermediate Similarity NPD7309 Approved
0.774 Intermediate Similarity NPD4481 Phase 3
0.7711 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD5241 Discontinued
0.7709 Intermediate Similarity NPD8156 Discontinued
0.7696 Intermediate Similarity NPD5006 Approved
0.7696 Intermediate Similarity NPD5005 Approved
0.7672 Intermediate Similarity NPD4420 Approved
0.7654 Intermediate Similarity NPD8251 Approved
0.7654 Intermediate Similarity NPD8099 Discontinued
0.7654 Intermediate Similarity NPD8252 Approved
0.7627 Intermediate Similarity NPD4010 Discontinued
0.759 Intermediate Similarity NPD4236 Phase 3
0.759 Intermediate Similarity NPD4237 Approved
0.7588 Intermediate Similarity NPD3639 Approved
0.7588 Intermediate Similarity NPD3640 Phase 3
0.7588 Intermediate Similarity NPD3641 Approved
0.7572 Intermediate Similarity NPD7298 Approved
0.7571 Intermediate Similarity NPD6107 Approved
0.7566 Intermediate Similarity NPD5582 Discontinued
0.756 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD6788 Approved
0.7542 Intermediate Similarity NPD2898 Approved
0.7531 Intermediate Similarity NPD2238 Phase 2
0.75 Intermediate Similarity NPD4017 Approved
0.75 Intermediate Similarity NPD7296 Approved
0.75 Intermediate Similarity NPD7281 Phase 3
0.75 Intermediate Similarity NPD7280 Phase 3
0.75 Intermediate Similarity NPD5604 Discontinued
0.7485 Intermediate Similarity NPD5177 Phase 3
0.7471 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5772 Approved
0.7429 Intermediate Similarity NPD5773 Approved
0.7416 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD7833 Phase 2
0.7401 Intermediate Similarity NPD7831 Phase 2
0.7399 Intermediate Similarity NPD4005 Discontinued
0.7384 Intermediate Similarity NPD6031 Approved
0.7384 Intermediate Similarity NPD6030 Approved
0.7358 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7354 Intermediate Similarity NPD2488 Approved
0.7354 Intermediate Similarity NPD2490 Approved
0.735 Intermediate Similarity NPD7827 Phase 1
0.7346 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD5312 Approved
0.7322 Intermediate Similarity NPD5313 Approved
0.7303 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD3452 Approved
0.7282 Intermediate Similarity NPD2494 Approved
0.7282 Intermediate Similarity NPD3450 Approved
0.7282 Intermediate Similarity NPD2493 Approved
0.7278 Intermediate Similarity NPD3060 Approved
0.7267 Intermediate Similarity NPD1424 Approved
0.7259 Intermediate Similarity NPD4583 Approved
0.7259 Intermediate Similarity NPD4582 Approved
0.7254 Intermediate Similarity NPD2975 Approved
0.7254 Intermediate Similarity NPD2973 Approved
0.7254 Intermediate Similarity NPD2974 Approved
0.7249 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD7007 Discovery
0.7241 Intermediate Similarity NPD4210 Discontinued
0.7238 Intermediate Similarity NPD4166 Phase 2
0.7231 Intermediate Similarity NPD4580 Approved
0.7219 Intermediate Similarity NPD2971 Approved
0.7219 Intermediate Similarity NPD2968 Approved
0.7209 Intermediate Similarity NPD2421 Approved
0.7209 Intermediate Similarity NPD2420 Approved
0.7208 Intermediate Similarity NPD4002 Approved
0.7208 Intermediate Similarity NPD4004 Approved
0.7207 Intermediate Similarity NPD4055 Discovery
0.716 Intermediate Similarity NPD1375 Discontinued
0.7157 Intermediate Similarity NPD7047 Phase 3
0.7152 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6297 Approved
0.7151 Intermediate Similarity NPD7124 Phase 2
0.7115 Intermediate Similarity NPD6997 Phase 2
0.7101 Intermediate Similarity NPD2161 Phase 2
0.7101 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5718 Phase 2
0.709 Intermediate Similarity NPD6853 Approved
0.709 Intermediate Similarity NPD6851 Approved
0.7086 Intermediate Similarity NPD4727 Phase 1
0.7079 Intermediate Similarity NPD3382 Approved
0.7079 Intermediate Similarity NPD3384 Approved
0.7079 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD3383 Approved
0.7079 Intermediate Similarity NPD37 Approved
0.7076 Intermediate Similarity NPD4162 Approved
0.7068 Intermediate Similarity NPD6842 Approved
0.7068 Intermediate Similarity NPD6841 Approved
0.7068 Intermediate Similarity NPD6843 Phase 3
0.7056 Intermediate Similarity NPD4967 Phase 2
0.7056 Intermediate Similarity NPD4966 Approved
0.7056 Intermediate Similarity NPD4965 Approved
0.7056 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD1753 Discontinued
0.7037 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD3124 Discontinued
0.7 Intermediate Similarity NPD4040 Phase 1
0.6995 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2677 Approved
0.6985 Remote Similarity NPD3057 Approved
0.6984 Remote Similarity NPD7549 Discontinued
0.6984 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6896 Approved
0.6982 Remote Similarity NPD6895 Approved
0.6978 Remote Similarity NPD6234 Discontinued
0.6977 Remote Similarity NPD6674 Discontinued
0.6977 Remote Similarity NPD6625 Approved
0.6971 Remote Similarity NPD4123 Phase 3
0.697 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4678 Approved
0.6966 Remote Similarity NPD4675 Approved
0.6957 Remote Similarity NPD3705 Approved
0.6954 Remote Similarity NPD3845 Phase 1
0.6954 Remote Similarity NPD6667 Approved
0.6954 Remote Similarity NPD6666 Approved
0.6946 Remote Similarity NPD2674 Phase 3
0.6943 Remote Similarity NPD2843 Phase 2
0.6943 Remote Similarity NPD2845 Phase 2
0.6941 Remote Similarity NPD4108 Discontinued
0.694 Remote Similarity NPD5677 Discontinued
0.6932 Remote Similarity NPD6090 Discontinued
0.6923 Remote Similarity NPD2492 Phase 1
0.6919 Remote Similarity NPD8095 Phase 1
0.6919 Remote Similarity NPD6687 Approved
0.6919 Remote Similarity NPD6688 Approved
0.6914 Remote Similarity NPD2230 Approved
0.6914 Remote Similarity NPD2233 Approved
0.6914 Remote Similarity NPD2232 Approved
0.6907 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5977 Approved
0.6906 Remote Similarity NPD5978 Approved
0.6905 Remote Similarity NPD3109 Approved
0.6905 Remote Similarity NPD3110 Approved
0.6902 Remote Similarity NPD7802 Discontinued
0.69 Remote Similarity NPD3533 Approved
0.69 Remote Similarity NPD2972 Approved
0.6898 Remote Similarity NPD6723 Discontinued
0.6898 Remote Similarity NPD7228 Approved
0.6897 Remote Similarity NPD5160 Discontinued
0.6893 Remote Similarity NPD5976 Discontinued
0.6893 Remote Similarity NPD2122 Discontinued
0.6886 Remote Similarity NPD3145 Approved
0.6886 Remote Similarity NPD3144 Approved
0.6882 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6111 Discontinued
0.6878 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5087 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7497 Discontinued
0.686 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6856 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6854 Remote Similarity NPD3686 Approved
0.6854 Remote Similarity NPD3687 Approved
0.6851 Remote Similarity NPD4585 Approved
0.6848 Remote Similarity NPD4666 Phase 3
0.6845 Remote Similarity NPD4474 Approved
0.6845 Remote Similarity NPD4475 Approved
0.684 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6331 Phase 2
0.6839 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5754 Discontinued
0.6836 Remote Similarity NPD52 Approved
0.6836 Remote Similarity NPD7526 Approved
0.6836 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6836 Remote Similarity NPD7527 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10425948
ChEMBL   CHEMBL497276
ZINC  

Physicochemical Properties

Molecular Weight:  317.13
ALogP:  -1.4742
MLogP:  2.67
XLogP:  -0.537
# Rotatable Bonds:  4
Polar Surface Area:  71.39
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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