Natural Product: NPC44649

Natural Product ID:  NPC44649
Common Name:   n.a.
IUPAC Name:  
Synonyms:   O10-Natafuranamine
Molecular Formula:   C33H46N2O4
Standard InCHIKey:  FBMFMDSVTBIJPB-CKTRUMDJSA-N
Standard InCHI:  InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1
Canonical SMILES:  CN([C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1[C@H]2C[C@H](O)[C@@H]2[C@]3(C1)C=C[C@@H]([C@]2(CO3)C)N=C(c1ccccc1)O)C)C)C
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
NPO26132 Buxus natalensis Species Buxaceae Eukaryota uMhalanga Rocks nature reserve, Durban, South Africa 2007-FEB PMID[20954721]
NPO27615 Ambrosia deltoidea Species Asteraceae Eukaryota UNPD*
NPO27255 Macaranga alnifolia Species Euphorbiaceae Eukaryota UNPD*
NPO27999 Aconitum nagarum Species Ranunculaceae Eukaryota UNPD*
NPO27700 Alphitonia excelsa Species Rhamnaceae Eukaryota UNPD*
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota UNPD*
NPO27765 Bryopsis plumosa Species Bryopsidaceae Eukaryota UNPD*
NPO26132 Buxus natalensis Species Buxaceae Eukaryota bark PMID[20954721]
NPO5507 Eubotryoides grayana Species Ericaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 8500 nM 20954721

  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 NPC44649 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
0.9429 High Similarity NPC476757
0.9286 High Similarity NPC328824
0.875 High Similarity NPC475578
0.8239 Intermediate Similarity NPC3202
0.8129 Intermediate Similarity NPC235460
0.8117 Intermediate Similarity NPC217801
0.8108 Intermediate Similarity NPC473922
0.8037 Intermediate Similarity NPC203005
0.7931 Intermediate Similarity NPC132847
0.7771 Intermediate Similarity NPC93343
0.7692 Intermediate Similarity NPC275839
0.766 Intermediate Similarity NPC109151
0.7578 Intermediate Similarity NPC476750
0.7561 Intermediate Similarity NPC476749
0.745 Intermediate Similarity NPC64897
0.745 Intermediate Similarity NPC90693
0.7329 Intermediate Similarity NPC278097
0.726 Intermediate Similarity NPC472414
0.7255 Intermediate Similarity NPC153007
0.7241 Intermediate Similarity NPC472415
0.723 Intermediate Similarity NPC71271
0.7208 Intermediate Similarity NPC239770
0.7161 Intermediate Similarity NPC261709
0.7161 Intermediate Similarity NPC111586
0.7161 Intermediate Similarity NPC108852
0.7118 Intermediate Similarity NPC476751
0.7086 Intermediate Similarity NPC42423
0.7 Intermediate Similarity NPC295478
0.6993 Remote Similarity NPC228511
0.6948 Remote Similarity NPC113325
0.6948 Remote Similarity NPC279045
0.6918 Remote Similarity NPC262216
0.6908 Remote Similarity NPC183722
0.6887 Remote Similarity NPC472413
0.6875 Remote Similarity NPC31171
0.6875 Remote Similarity NPC237240
0.6864 Remote Similarity NPC71205
0.6857 Remote Similarity NPC292758
0.6857 Remote Similarity NPC65855
0.6845 Remote Similarity NPC67080
0.6812 Remote Similarity NPC471133
0.681 Remote Similarity NPC470274
0.6795 Remote Similarity NPC208725
0.679 Remote Similarity NPC94602
0.6783 Remote Similarity NPC169616
0.6776 Remote Similarity NPC40488
0.6776 Remote Similarity NPC116057
0.6748 Remote Similarity NPC201692
0.6711 Remote Similarity NPC160493
0.671 Remote Similarity NPC313663
0.6708 Remote Similarity NPC49565
0.6706 Remote Similarity NPC471394
0.6706 Remote Similarity NPC293164
0.6691 Remote Similarity NPC211551
0.6688 Remote Similarity NPC175870
0.6688 Remote Similarity NPC478140
0.6686 Remote Similarity NPC156348
0.6667 Remote Similarity NPC474544
0.6667 Remote Similarity NPC1986
0.6644 Remote Similarity NPC316896
0.6644 Remote Similarity NPC472862
0.6642 Remote Similarity NPC469457
0.6626 Remote Similarity NPC173934
0.6622 Remote Similarity NPC238582
0.6619 Remote Similarity NPC194390
0.6619 Remote Similarity NPC224610
0.6619 Remote Similarity NPC113326
0.6619 Remote Similarity NPC88267
0.6604 Remote Similarity NPC243893
0.6594 Remote Similarity NPC50815
0.6591 Remote Similarity NPC88378
0.6591 Remote Similarity NPC211713
0.659 Remote Similarity NPC470936
0.6585 Remote Similarity NPC245974
0.6584 Remote Similarity NPC471862
0.6577 Remote Similarity NPC146673
0.6577 Remote Similarity NPC233923
0.6577 Remote Similarity NPC190663
0.6576 Remote Similarity NPC163578
0.6576 Remote Similarity NPC108276
0.6564 Remote Similarity NPC471139
0.6564 Remote Similarity NPC260194
0.6541 Remote Similarity NPC124690
0.6541 Remote Similarity NPC205
0.6541 Remote Similarity NPC172769
0.6541 Remote Similarity NPC166521
0.6541 Remote Similarity NPC184195
0.6541 Remote Similarity NPC281470
0.6538 Remote Similarity NPC246079
0.6524 Remote Similarity NPC472100
0.6522 Remote Similarity NPC57976
0.6522 Remote Similarity NPC228400
0.6522 Remote Similarity NPC40539
0.6522 Remote Similarity NPC214200
0.6503 Remote Similarity NPC327699
0.6503 Remote Similarity NPC471395
0.65 Remote Similarity NPC315794
0.65 Remote Similarity NPC262324
0.6481 Remote Similarity NPC475128
0.6479 Remote Similarity NPC472980
0.6478 Remote Similarity NPC471864
0.6475 Remote Similarity NPC247060
0.6471 Remote Similarity NPC87363
0.6463 Remote Similarity NPC247298
0.6442 Remote Similarity NPC471856
0.6429 Remote Similarity NPC19856
0.6424 Remote Similarity NPC313414
0.6424 Remote Similarity NPC473541
0.6424 Remote Similarity NPC327623
0.6424 Remote Similarity NPC476184
0.6424 Remote Similarity NPC476281
0.642 Remote Similarity NPC189724
0.642 Remote Similarity NPC79921
0.642 Remote Similarity NPC83289
0.642 Remote Similarity NPC212850
0.6415 Remote Similarity NPC134937
0.6415 Remote Similarity NPC298547
0.6415 Remote Similarity NPC324898
0.6405 Remote Similarity NPC476241
0.6405 Remote Similarity NPC476260
0.6403 Remote Similarity NPC289117
0.6402 Remote Similarity NPC153214
0.64 Remote Similarity NPC469462
0.6398 Remote Similarity NPC205305
0.6398 Remote Similarity NPC327511
0.6395 Remote Similarity NPC73644
0.6389 Remote Similarity NPC283999
0.6382 Remote Similarity NPC317474
0.6382 Remote Similarity NPC169485
0.6382 Remote Similarity NPC291027
0.6382 Remote Similarity NPC84281
0.6382 Remote Similarity NPC213126
0.6379 Remote Similarity NPC471396
0.6375 Remote Similarity NPC200154
0.6375 Remote Similarity NPC279637
0.6375 Remote Similarity NPC149401
0.6369 Remote Similarity NPC288290
0.6364 Remote Similarity NPC474532
0.6364 Remote Similarity NPC27252
0.6364 Remote Similarity NPC4974
0.6364 Remote Similarity NPC325013
0.6364 Remote Similarity NPC476125
0.6364 Remote Similarity NPC472979
0.6364 Remote Similarity NPC476179
0.6358 Remote Similarity NPC121268
0.6358 Remote Similarity NPC197921
0.6358 Remote Similarity NPC476183
0.6358 Remote Similarity NPC53361
0.6358 Remote Similarity NPC321133
0.6357 Remote Similarity NPC471083
0.6354 Remote Similarity NPC475962
0.6346 Remote Similarity NPC58061
0.6346 Remote Similarity NPC230331
0.6346 Remote Similarity NPC268763
0.6346 Remote Similarity NPC66177
0.6346 Remote Similarity NPC8305
0.6344 Remote Similarity NPC453583
0.6344 Remote Similarity NPC473300
0.6344 Remote Similarity NPC475336
0.6343 Remote Similarity NPC278887
0.634 Remote Similarity NPC476278
0.634 Remote Similarity NPC46427
0.6337 Remote Similarity NPC147091
0.6333 Remote Similarity NPC48342
0.6333 Remote Similarity NPC164649
0.6333 Remote Similarity NPC254233
0.6329 Remote Similarity NPC246913
0.6323 Remote Similarity NPC65310
0.6322 Remote Similarity NPC4304
0.6319 Remote Similarity NPC116742
0.6319 Remote Similarity NPC139243
0.6319 Remote Similarity NPC469973
0.6319 Remote Similarity NPC91953
0.6316 Remote Similarity NPC207675
0.6316 Remote Similarity NPC212699
0.6312 Remote Similarity NPC476102
0.6312 Remote Similarity NPC76785
0.6312 Remote Similarity NPC474855
0.6312 Remote Similarity NPC293377
0.6312 Remote Similarity NPC90194
0.6312 Remote Similarity NPC475318
0.6312 Remote Similarity NPC49577
0.6312 Remote Similarity NPC118099
0.6312 Remote Similarity NPC79465
0.6312 Remote Similarity NPC273907
0.6312 Remote Similarity NPC474811
0.6312 Remote Similarity NPC260045
0.6312 Remote Similarity NPC9687
0.6312 Remote Similarity NPC28836
0.6312 Remote Similarity NPC475598
0.6312 Remote Similarity NPC151706
0.6312 Remote Similarity NPC90538
0.6312 Remote Similarity NPC474787
0.6312 Remote Similarity NPC203486
0.631 Remote Similarity NPC33372
0.631 Remote Similarity NPC472936
0.631 Remote Similarity NPC472938
0.631 Remote Similarity NPC67246
0.631 Remote Similarity NPC472937
0.6309 Remote Similarity NPC105141

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC44649 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
0.7153 Intermediate Similarity NPD7725 Approved
0.7133 Intermediate Similarity NPD7741 Discontinued
0.7113 Intermediate Similarity NPD4230 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD6406 Approved
0.7063 Intermediate Similarity NPD7522 Discontinued
0.7025 Intermediate Similarity NPD7488 Clinical (unspecified phase)
0.6968 Remote Similarity NPD8147 Approved
0.6968 Remote Similarity NPD8148 Approved
0.6943 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4720 Approved
0.6906 Remote Similarity NPD4717 Approved
0.6906 Remote Similarity NPD4718 Approved
0.6875 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6676 Phase 2
0.677 Remote Similarity NPD8131 Suspended
0.6761 Remote Similarity NPD4573 Approved
0.6761 Remote Similarity NPD4571 Approved
0.6761 Remote Similarity NPD4572 Approved
0.6759 Remote Similarity NPD3123 Discovery
0.6715 Remote Similarity NPD4818 Approved
0.6715 Remote Similarity NPD4817 Approved
0.6715 Remote Similarity NPD4719 Phase 2
0.6711 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6711 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2173 Clinical (unspecified phase)
0.671 Remote Similarity NPD7714 Approved
0.671 Remote Similarity NPD7715 Approved
0.6667 Remote Similarity NPD3681 Approved
0.6667 Remote Similarity NPD7250 Approved
0.6667 Remote Similarity NPD3682 Approved
0.6667 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3683 Approved
0.6667 Remote Similarity NPD3680 Approved
0.6667 Remote Similarity NPD7249 Approved
0.6644 Remote Similarity NPD3895 Approved
0.6644 Remote Similarity NPD3896 Approved
0.6644 Remote Similarity NPD3898 Approved
0.6644 Remote Similarity NPD3897 Approved
0.6623 Remote Similarity NPD6025 Phase 1
0.6596 Remote Similarity NPD4095 Clinical (unspecified phase)
0.6582 Remote Similarity NPD2157 Approved
0.6571 Remote Similarity NPD5717 Approved
0.6564 Remote Similarity NPD3692 Discontinued
0.6561 Remote Similarity NPD2238 Phase 2
0.6558 Remote Similarity NPD7084 Phase 3
0.6556 Remote Similarity NPD2230 Approved
0.6556 Remote Similarity NPD2233 Approved
0.6556 Remote Similarity NPD2232 Approved
0.6554 Remote Similarity NPD2227 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4231 Approved
0.6547 Remote Similarity NPD4229 Approved
0.6543 Remote Similarity NPD3638 Discontinued
0.6525 Remote Similarity NPD3526 Approved
0.6525 Remote Similarity NPD3524 Approved
0.6516 Remote Similarity NPD4698 Clinical (unspecified phase)
0.6497 Remote Similarity NPD8118 Discontinued
0.6481 Remote Similarity NPD4149 Clinical (unspecified phase)
0.6479 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6475 Remote Similarity NPD854 Approved
0.6475 Remote Similarity NPD855 Approved
0.6467 Remote Similarity NPD5723 Approved
0.6463 Remote Similarity NPD7740 Clinical (unspecified phase)
0.6463 Remote Similarity NPD4031 Approved
0.6463 Remote Similarity NPD4032 Approved
0.6458 Remote Similarity NPD4253 Approved
0.6458 Remote Similarity NPD4025 Clinical (unspecified phase)
0.6458 Remote Similarity NPD4254 Approved
0.6456 Remote Similarity NPD6346 Approved
0.6446 Remote Similarity NPD7019 Approved
0.6446 Remote Similarity NPD7020 Approved
0.6433 Remote Similarity NPD8011 Discontinued
0.6429 Remote Similarity NPD4656 Approved
0.6429 Remote Similarity NPD4658 Approved
0.6416 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6416 Remote Similarity NPD7833 Phase 2
0.6416 Remote Similarity NPD7831 Phase 2
0.6415 Remote Similarity NPD6086 Phase 2
0.6412 Remote Similarity NPD6072 Discontinued
0.6408 Remote Similarity NPD5705 Approved
0.6408 Remote Similarity NPD5704 Approved
0.6408 Remote Similarity NPD5706 Approved
0.6407 Remote Similarity NPD7526 Approved
0.6407 Remote Similarity NPD52 Approved
0.6407 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6402 Remote Similarity NPD7253 Phase 3
0.64 Remote Similarity NPD1710 Approved
0.6395 Remote Similarity NPD7494 Clinical (unspecified phase)
0.6389 Remote Similarity NPD5236 Approved
0.6389 Remote Similarity NPD5237 Approved
0.6389 Remote Similarity NPD5235 Approved
0.6389 Remote Similarity NPD5239 Approved
0.6389 Remote Similarity NPD5240 Approved
0.6383 Remote Similarity NPD179 Clinical (unspecified phase)
0.6382 Remote Similarity NPD3131 Approved
0.6382 Remote Similarity NPD2612 Approved
0.6382 Remote Similarity NPD2608 Approved
0.6382 Remote Similarity NPD3381 Discontinued
0.6382 Remote Similarity NPD4218 Approved
0.6382 Remote Similarity NPD4217 Approved
0.6382 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6382 Remote Similarity NPD2611 Approved
0.6382 Remote Similarity NPD4216 Approved
0.6382 Remote Similarity NPD2609 Approved
0.6382 Remote Similarity NPD4215 Approved
0.6382 Remote Similarity NPD3132 Approved
0.6382 Remote Similarity NPD2610 Approved
0.6364 Remote Similarity NPD7295 Approved
0.6358 Remote Similarity NPD2667 Approved
0.6358 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6358 Remote Similarity NPD4593 Approved
0.6358 Remote Similarity NPD7939 Discontinued
0.6358 Remote Similarity NPD4594 Approved
0.6358 Remote Similarity NPD2668 Approved
0.6357 Remote Similarity NPD4119 Approved
0.6357 Remote Similarity NPD5716 Approved
0.6354 Remote Similarity NPD5030 Phase 2
0.6352 Remote Similarity NPD8416 Discontinued
0.6352 Remote Similarity NPD6310 Approved
0.6352 Remote Similarity NPD6311 Approved
0.6352 Remote Similarity NPD6309 Approved
0.6347 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6346 Remote Similarity NPD3662 Phase 3
0.6346 Remote Similarity NPD3663 Approved
0.6346 Remote Similarity NPD3636 Approved
0.6346 Remote Similarity NPD3661 Approved
0.6346 Remote Similarity NPD3637 Approved
0.6346 Remote Similarity NPD3664 Approved
0.6346 Remote Similarity NPD3635 Approved
0.6345 Remote Similarity NPD2201 Approved
0.6337 Remote Similarity NPD5773 Approved
0.6337 Remote Similarity NPD5772 Approved
0.6333 Remote Similarity NPD2106 Clinical (unspecified phase)
0.6333 Remote Similarity NPD3091 Approved
0.6327 Remote Similarity NPD2229 Approved
0.6327 Remote Similarity NPD2228 Approved
0.6327 Remote Similarity NPD2234 Approved
0.6325 Remote Similarity NPD7236 Approved
0.6324 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6323 Remote Similarity NPD2625 Approved
0.6323 Remote Similarity NPD3094 Phase 2
0.6323 Remote Similarity NPD2626 Approved
0.6323 Remote Similarity NPD2160 Approved
0.6323 Remote Similarity NPD2628 Approved
0.6323 Remote Similarity NPD4103 Phase 2
0.6323 Remote Similarity NPD2627 Approved
0.6323 Remote Similarity NPD2159 Approved
0.6323 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6322 Remote Similarity NPD4064 Discontinued
0.6322 Remote Similarity NPD8070 Approved
0.6319 Remote Similarity NPD5028 Approved
0.6319 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6319 Remote Similarity NPD36 Approved
0.6319 Remote Similarity NPD4954 Approved
0.6319 Remote Similarity NPD5034 Approved
0.6319 Remote Similarity NPD5026 Approved
0.6319 Remote Similarity NPD4955 Approved
0.6316 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6313 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6312 Remote Similarity NPD7430 Approved
0.6312 Remote Similarity NPD7431 Approved
0.631 Remote Similarity NPD6221 Approved
0.631 Remote Similarity NPD7613 Discontinued
0.631 Remote Similarity NPD6222 Approved
0.6306 Remote Similarity NPD2613 Approved
0.6303 Remote Similarity NPD2575 Approved
0.6303 Remote Similarity NPD7487 Discontinued
0.6301 Remote Similarity NPD7738 Approved
0.6301 Remote Similarity NPD7737 Approved
0.6299 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6294 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6294 Remote Similarity NPD811 Approved
0.6294 Remote Similarity NPD810 Approved
0.6294 Remote Similarity NPD812 Approved
0.6292 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7477 Discontinued
0.6286 Remote Similarity NPD4760 Clinical (unspecified phase)
0.6284 Remote Similarity NPD7311 Approved
0.6284 Remote Similarity NPD7310 Approved
0.6284 Remote Similarity NPD7313 Approved
0.6284 Remote Similarity NPD7312 Approved
0.6284 Remote Similarity NPD4766 Approved
0.6282 Remote Similarity NPD7247 Discontinued
0.6275 Remote Similarity NPD5618 Discontinued
0.6273 Remote Similarity NPD6353 Approved
0.6271 Remote Similarity NPD6071 Discontinued
0.6268 Remote Similarity NPD3046 Approved
0.6268 Remote Similarity NPD3048 Approved
0.6268 Remote Similarity NPD3047 Approved
0.6267 Remote Similarity NPD2484 Approved
0.6267 Remote Similarity NPD2485 Approved
0.6266 Remote Similarity NPD4738 Phase 2
0.6265 Remote Similarity NPD5595 Clinical (unspecified phase)
0.6264 Remote Similarity NPD3674 Clinical (unspecified phase)
0.6263 Remote Similarity NPD8485 Approved
0.6258 Remote Similarity NPD6522 Clinical (unspecified phase)
0.6257 Remote Similarity NPD3579 Clinical (unspecified phase)
0.625 Remote Similarity NPD5126 Approved
0.625 Remote Similarity NPD7309 Approved
0.625 Remote Similarity NPD3645 Discontinued

Structure

External Identifiers

PubChem CID   53316924
ChEMBL   CHEMBL1651043
ZINC  

Physicochemical Properties

Molecular Weight:  534.35
ALogP:  0.5715
MLogP:  4.43
XLogP:  5.23
# Rotatable Bonds:  13
Polar Surface Area:  85.52
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  39

Download Data

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