Natural Product: NPC203005

Natural Product ID:  NPC203005
Common Name:   n.a.
IUPAC Name:  
Synonyms:   O2-Natafuranamine
Molecular Formula:   C35H48N2O6
Standard InCHIKey:  OMPGPMBHVLLRMF-FGCNPPJOSA-N
Standard InCHI:  InChI=1S/C35H48N2O6/c1-19(37(6)7)26-24(39)17-34(5)23-15-25(42-20(2)38)28-32(3)18-41-27(29(32)36-31(40)21-11-9-8-10-12-21)30-35(28,43-30)16-22(23)13-14-33(26,34)4/h8-13,19,23-30,39H,14-18H2,1-7H3,(H,36,40)/t19-,23+,24+,25-,26-,27-,28-,29-,30+,32-,33+,34-,35-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]2C(=CC[C@]3([C@@]2(C)C[C@H]([C@@H]3[C@@H](N(C)C)C)O)C)C[C@@]23[C@@H]1[C@]1(C)CO[C@H]([C@H]3O2)[C@@H]1N=C(c1ccccc1)O
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*
NPO5507 Eubotryoides grayana Species Ericaceae Eukaryota UNPD*
NPO27765 Bryopsis plumosa Species Bryopsidaceae Eukaryota UNPD*
NPO27700 Alphitonia excelsa Species Rhamnaceae Eukaryota UNPD*
NPO26132 Buxus natalensis Species Buxaceae Eukaryota bark PMID[20954721]
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota UNPD*
NPO27999 Aconitum nagarum Species Ranunculaceae 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 = 3000 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 NPC203005 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
0.8938 High Similarity NPC217801
0.8827 High Similarity NPC235460
0.8519 High Similarity NPC275839
0.8385 Intermediate Similarity NPC476757
0.8375 Intermediate Similarity NPC475578
0.8261 Intermediate Similarity NPC328824
0.8037 Intermediate Similarity NPC44649
0.7799 Intermediate Similarity NPC3202
0.759 Intermediate Similarity NPC473922
0.7531 Intermediate Similarity NPC132847
0.7514 Intermediate Similarity NPC93343
0.75 Intermediate Similarity NPC108276
0.75 Intermediate Similarity NPC163578
0.7471 Intermediate Similarity NPC201692
0.746 Intermediate Similarity NPC205
0.746 Intermediate Similarity NPC166521
0.746 Intermediate Similarity NPC281470
0.746 Intermediate Similarity NPC184195
0.746 Intermediate Similarity NPC172769
0.746 Intermediate Similarity NPC124690
0.7447 Intermediate Similarity NPC40539
0.7396 Intermediate Similarity NPC237240
0.7396 Intermediate Similarity NPC31171
0.7353 Intermediate Similarity NPC173934
0.7345 Intermediate Similarity NPC476750
0.7337 Intermediate Similarity NPC262216
0.7333 Intermediate Similarity NPC476749
0.7317 Intermediate Similarity NPC90693
0.7317 Intermediate Similarity NPC64897
0.7191 Intermediate Similarity NPC156348
0.7167 Intermediate Similarity NPC15506
0.716 Intermediate Similarity NPC261709
0.716 Intermediate Similarity NPC111586
0.716 Intermediate Similarity NPC108852
0.7101 Intermediate Similarity NPC140311
0.7101 Intermediate Similarity NPC239770
0.709 Intermediate Similarity NPC474650
0.7086 Intermediate Similarity NPC4108
0.7074 Intermediate Similarity NPC475794
0.7037 Intermediate Similarity NPC474607
0.7033 Intermediate Similarity NPC106593
0.7012 Intermediate Similarity NPC295478
0.7 Intermediate Similarity NPC473667
0.6994 Remote Similarity NPC471139
0.698 Remote Similarity NPC476495
0.698 Remote Similarity NPC106840
0.698 Remote Similarity NPC94687
0.6946 Remote Similarity NPC476496
0.6935 Remote Similarity NPC476751
0.6931 Remote Similarity NPC326895
0.6923 Remote Similarity NPC175870
0.6914 Remote Similarity NPC94602
0.6891 Remote Similarity NPC327699
0.689 Remote Similarity NPC278097
0.6886 Remote Similarity NPC42423
0.6875 Remote Similarity NPC473837
0.6854 Remote Similarity NPC62792
0.6852 Remote Similarity NPC109151
0.6842 Remote Similarity NPC475345
0.6839 Remote Similarity NPC49565
0.6836 Remote Similarity NPC470274
0.681 Remote Similarity NPC223590
0.6806 Remote Similarity NPC475649
0.6805 Remote Similarity NPC228511
0.6804 Remote Similarity NPC475919
0.6804 Remote Similarity NPC474661
0.68 Remote Similarity NPC260194
0.6796 Remote Similarity NPC475548
0.6796 Remote Similarity NPC475638
0.6796 Remote Similarity NPC290683
0.677 Remote Similarity NPC242692
0.6765 Remote Similarity NPC279045
0.6765 Remote Similarity NPC113325
0.676 Remote Similarity NPC478123
0.676 Remote Similarity NPC298072
0.6755 Remote Similarity NPC474953
0.674 Remote Similarity NPC471176
0.6737 Remote Similarity NPC476113
0.6735 Remote Similarity NPC473300
0.6735 Remote Similarity NPC475336
0.6735 Remote Similarity NPC453583
0.6728 Remote Similarity NPC472458
0.6727 Remote Similarity NPC472414
0.6724 Remote Similarity NPC325078
0.6723 Remote Similarity NPC240115
0.6723 Remote Similarity NPC312393
0.672 Remote Similarity NPC475427
0.672 Remote Similarity NPC477115
0.6719 Remote Similarity NPC99179
0.6707 Remote Similarity NPC473871
0.6707 Remote Similarity NPC473870
0.6707 Remote Similarity NPC71271
0.6707 Remote Similarity NPC58061
0.6703 Remote Similarity NPC154675
0.6701 Remote Similarity NPC33372
0.6701 Remote Similarity NPC67246
0.67 Remote Similarity NPC473558
0.6685 Remote Similarity NPC309991
0.6685 Remote Similarity NPC323356
0.6685 Remote Similarity NPC471138
0.6685 Remote Similarity NPC471135
0.6685 Remote Similarity NPC326328
0.6683 Remote Similarity NPC215892
0.6683 Remote Similarity NPC191193
0.6683 Remote Similarity NPC242662
0.6683 Remote Similarity NPC321072
0.6667 Remote Similarity NPC120667
0.6667 Remote Similarity NPC278272
0.665 Remote Similarity NPC181964
0.665 Remote Similarity NPC208553
0.665 Remote Similarity NPC317882
0.665 Remote Similarity NPC471754
0.665 Remote Similarity NPC471606
0.6649 Remote Similarity NPC304846
0.6648 Remote Similarity NPC131966
0.6648 Remote Similarity NPC191387
0.6647 Remote Similarity NPC243893
0.6647 Remote Similarity NPC262324
0.6646 Remote Similarity NPC473889
0.6633 Remote Similarity NPC471395
0.6631 Remote Similarity NPC89199
0.6631 Remote Similarity NPC54125
0.663 Remote Similarity NPC73644
0.6629 Remote Similarity NPC478263
0.6629 Remote Similarity NPC475128
0.6627 Remote Similarity NPC284022
0.6621 Remote Similarity NPC475316
0.6621 Remote Similarity NPC473486
0.6617 Remote Similarity NPC473490
0.6611 Remote Similarity NPC475561
0.6611 Remote Similarity NPC475417
0.661 Remote Similarity NPC34943
0.6602 Remote Similarity NPC11708
0.6598 Remote Similarity NPC305847
0.6591 Remote Similarity NPC192658
0.6587 Remote Similarity NPC45821
0.6587 Remote Similarity NPC475933
0.6587 Remote Similarity NPC470158
0.6576 Remote Similarity NPC318447
0.6576 Remote Similarity NPC322048
0.6575 Remote Similarity NPC470631
0.6575 Remote Similarity NPC35390
0.6575 Remote Similarity NPC473781
0.6573 Remote Similarity NPC125882
0.6573 Remote Similarity NPC478264
0.6571 Remote Similarity NPC87934
0.6571 Remote Similarity NPC162613
0.6571 Remote Similarity NPC79921
0.6566 Remote Similarity NPC275170
0.6566 Remote Similarity NPC324251
0.6566 Remote Similarity NPC471629
0.6566 Remote Similarity NPC206211
0.6566 Remote Similarity NPC473400
0.6566 Remote Similarity NPC306001
0.6564 Remote Similarity NPC302449
0.6562 Remote Similarity NPC165396
0.6552 Remote Similarity NPC153007
0.6548 Remote Similarity NPC476971
0.6548 Remote Similarity NPC476972
0.6545 Remote Similarity NPC211713
0.6545 Remote Similarity NPC88378
0.6536 Remote Similarity NPC20255
0.6532 Remote Similarity NPC478140
0.6532 Remote Similarity NPC471864
0.6527 Remote Similarity NPC471758
0.6524 Remote Similarity NPC478124
0.6524 Remote Similarity NPC253738
0.6522 Remote Similarity NPC326235
0.6522 Remote Similarity NPC323001
0.652 Remote Similarity NPC472329
0.652 Remote Similarity NPC472330
0.6519 Remote Similarity NPC476173
0.6514 Remote Similarity NPC9905
0.6503 Remote Similarity NPC473860
0.65 Remote Similarity NPC473760
0.65 Remote Similarity NPC327031
0.6498 Remote Similarity NPC477394
0.6497 Remote Similarity NPC472236
0.6497 Remote Similarity NPC140021
0.6497 Remote Similarity NPC472235
0.6488 Remote Similarity NPC476970
0.648 Remote Similarity NPC313414
0.648 Remote Similarity NPC92867
0.648 Remote Similarity NPC311825
0.648 Remote Similarity NPC473541
0.6477 Remote Similarity NPC90614
0.6477 Remote Similarity NPC472547
0.6477 Remote Similarity NPC57976
0.6477 Remote Similarity NPC100913
0.6477 Remote Similarity NPC275592
0.6473 Remote Similarity NPC476500
0.6471 Remote Similarity NPC472392
0.6471 Remote Similarity NPC93632
0.6467 Remote Similarity NPC472373
0.6467 Remote Similarity NPC77691
0.6464 Remote Similarity NPC76103
0.6464 Remote Similarity NPC474564
0.6461 Remote Similarity NPC477894
0.6457 Remote Similarity NPC39549
0.6456 Remote Similarity NPC289383

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC203005 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
0.7396 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7497 Discontinued
0.686 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6743 Remote Similarity NPD2575 Approved
0.6684 Remote Similarity NPD8470 Clinical (unspecified phase)
0.665 Remote Similarity NPD8485 Approved
0.6649 Remote Similarity NPD8407 Phase 2
0.6648 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7906 Approved
0.6614 Remote Similarity NPD4481 Phase 3
0.6598 Remote Similarity NPD7310 Approved
0.6598 Remote Similarity NPD7312 Approved
0.6598 Remote Similarity NPD7313 Approved
0.6598 Remote Similarity NPD4578 Approved
0.6598 Remote Similarity NPD7311 Approved
0.6598 Remote Similarity NPD4577 Approved
0.6582 Remote Similarity NPD4663 Approved
0.6564 Remote Similarity NPD7309 Approved
0.6561 Remote Similarity NPD2969 Approved
0.6561 Remote Similarity NPD2970 Approved
0.6552 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6515 Remote Similarity NPD8361 Approved
0.6515 Remote Similarity NPD8360 Approved
0.6497 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6495 Remote Similarity NPD8368 Discontinued
0.6453 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6453 Remote Similarity NPD3089 Approved
0.6453 Remote Similarity NPD2566 Approved
0.6453 Remote Similarity NPD4746 Phase 3
0.6453 Remote Similarity NPD4745 Approved
0.6453 Remote Similarity NPD2574 Discontinued
0.6453 Remote Similarity NPD3616 Approved
0.6453 Remote Similarity NPD3088 Approved
0.6453 Remote Similarity NPD2571 Approved
0.6453 Remote Similarity NPD2573 Approved
0.6453 Remote Similarity NPD3614 Approved
0.6453 Remote Similarity NPD3087 Approved
0.6453 Remote Similarity NPD3090 Approved
0.6453 Remote Similarity NPD3615 Approved
0.6453 Remote Similarity NPD2570 Approved
0.6443 Remote Similarity NPD7007 Discovery
0.644 Remote Similarity NPD27 Approved
0.644 Remote Similarity NPD2489 Approved
0.6432 Remote Similarity NPD7047 Phase 3
0.6432 Remote Similarity NPD8435 Approved
0.6429 Remote Similarity NPD5035 Approved
0.6421 Remote Similarity NPD7315 Approved
0.6421 Remote Similarity NPD3051 Approved
0.6402 Remote Similarity NPD7741 Discontinued
0.6392 Remote Similarity NPD5190 Phase 2
0.639 Remote Similarity NPD4580 Approved
0.6383 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6379 Remote Similarity NPD4684 Phase 3
0.6379 Remote Similarity NPD4686 Approved
0.6379 Remote Similarity NPD4685 Phase 3
0.6369 Remote Similarity NPD6676 Phase 2
0.6364 Remote Similarity NPD5036 Approved
0.6358 Remote Similarity NPD7715 Approved
0.6358 Remote Similarity NPD7714 Approved
0.6347 Remote Similarity NPD2173 Clinical (unspecified phase)
0.6346 Remote Similarity NPD4583 Approved
0.6346 Remote Similarity NPD4582 Approved
0.634 Remote Similarity NPD4603 Phase 2
0.6332 Remote Similarity NPD5037 Approved
0.6332 Remote Similarity NPD5038 Approved
0.6324 Remote Similarity NPD2973 Approved
0.6324 Remote Similarity NPD2975 Approved
0.6324 Remote Similarity NPD2974 Approved
0.6322 Remote Similarity NPD6346 Approved
0.6319 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3661 Approved
0.6316 Remote Similarity NPD3663 Approved
0.6316 Remote Similarity NPD3662 Phase 3
0.6316 Remote Similarity NPD3664 Approved
0.631 Remote Similarity NPD5773 Approved
0.631 Remote Similarity NPD5772 Approved
0.6301 Remote Similarity NPD4621 Approved
0.6301 Remote Similarity NPD4619 Approved
0.6298 Remote Similarity NPD4004 Approved
0.6298 Remote Similarity NPD4002 Approved
0.6294 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6284 Remote Similarity NPD7314 Clinical (unspecified phase)
0.628 Remote Similarity NPD4230 Clinical (unspecified phase)
0.628 Remote Similarity NPD2493 Approved
0.628 Remote Similarity NPD2494 Approved
0.6279 Remote Similarity NPD2613 Approved
0.6262 Remote Similarity NPD7565 Approved
0.6244 Remote Similarity NPD5030 Phase 2
0.6243 Remote Similarity NPD8131 Suspended
0.6243 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6242 Remote Similarity NPD7522 Discontinued
0.6236 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6229 Remote Similarity NPD2238 Phase 2
0.6229 Remote Similarity NPD6310 Approved
0.6229 Remote Similarity NPD6311 Approved
0.6229 Remote Similarity NPD6309 Approved
0.6228 Remote Similarity NPD7725 Approved
0.6221 Remote Similarity NPD5204 Approved
0.6215 Remote Similarity NPD7827 Phase 1
0.6212 Remote Similarity NPD5028 Approved
0.6212 Remote Similarity NPD5026 Approved
0.6212 Remote Similarity NPD4955 Approved
0.6212 Remote Similarity NPD5034 Approved
0.6212 Remote Similarity NPD5032 Approved
0.6212 Remote Similarity NPD4954 Approved
0.6212 Remote Similarity NPD36 Approved
0.6205 Remote Similarity NPD7799 Discontinued
0.6203 Remote Similarity NPD6072 Discontinued
0.6202 Remote Similarity NPD3450 Approved
0.6202 Remote Similarity NPD3452 Approved
0.6201 Remote Similarity NPD4725 Approved
0.6201 Remote Similarity NPD4721 Approved
0.6201 Remote Similarity NPD4726 Approved
0.6188 Remote Similarity NPD6836 Approved
0.6185 Remote Similarity NPD5203 Approved
0.6185 Remote Similarity NPD4620 Approved
0.6185 Remote Similarity NPD5201 Approved
0.6185 Remote Similarity NPD4617 Approved
0.6185 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6175 Remote Similarity NPD8404 Phase 2
0.6162 Remote Similarity NPD5039 Approved
0.6154 Remote Similarity NPD3529 Phase 2
0.6154 Remote Similarity NPD7740 Clinical (unspecified phase)
0.6142 Remote Similarity NPD4956 Approved
0.614 Remote Similarity NPD8462 Phase 1
0.6136 Remote Similarity NPD5120 Approved
0.6136 Remote Similarity NPD5121 Approved
0.6136 Remote Similarity NPD5119 Approved
0.6133 Remote Similarity NPD4236 Phase 3
0.6133 Remote Similarity NPD3638 Discontinued
0.6133 Remote Similarity NPD4237 Approved
0.6124 Remote Similarity NPD8147 Approved
0.6124 Remote Similarity NPD8148 Approved
0.612 Remote Similarity NPD6666 Approved
0.612 Remote Similarity NPD6667 Approved
0.612 Remote Similarity NPD7236 Approved
0.6109 Remote Similarity NPD6997 Phase 2
0.6108 Remote Similarity NPD52 Approved
0.6108 Remote Similarity NPD7526 Approved
0.6108 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6106 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6105 Remote Similarity NPD2626 Approved
0.6105 Remote Similarity NPD2625 Approved
0.6105 Remote Similarity NPD2627 Approved
0.6105 Remote Similarity NPD2160 Approved
0.6105 Remote Similarity NPD2159 Approved
0.6105 Remote Similarity NPD2628 Approved
0.6096 Remote Similarity NPD4005 Discontinued
0.6089 Remote Similarity NPD1753 Discontinued
0.6087 Remote Similarity NPD7282 Approved
0.6085 Remote Similarity NPD7999 Approved
0.6084 Remote Similarity NPD3123 Discovery
0.6083 Remote Similarity NPD7930 Approved
0.6082 Remote Similarity NPD6025 Phase 1
0.6082 Remote Similarity NPD6071 Discontinued
0.608 Remote Similarity NPD5027 Approved
0.608 Remote Similarity NPD5031 Approved
0.608 Remote Similarity NPD5029 Approved
0.6066 Remote Similarity NPD3692 Discontinued
0.6064 Remote Similarity NPD8417 Discontinued
0.6062 Remote Similarity NPD5704 Approved
0.6062 Remote Similarity NPD5705 Approved
0.6062 Remote Similarity NPD5706 Approved
0.6059 Remote Similarity NPD5618 Discontinued
0.6059 Remote Similarity NPD4806 Approved
0.6059 Remote Similarity NPD4807 Approved
0.6057 Remote Similarity NPD4738 Phase 2
0.6054 Remote Similarity NPD3645 Discontinued
0.6045 Remote Similarity NPD8416 Discontinued
0.6045 Remote Similarity NPD8265 Approved
0.6043 Remote Similarity NPD7239 Suspended
0.6034 Remote Similarity NPD7084 Phase 3
0.6034 Remote Similarity NPD5736 Approved
0.6025 Remote Similarity NPD6406 Approved
0.6021 Remote Similarity NPD2560 Approved
0.6021 Remote Similarity NPD2563 Approved
0.602 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6012 Remote Similarity NPD4479 Discontinued
0.6011 Remote Similarity NPD7253 Phase 3
0.6011 Remote Similarity NPD8643 Discontinued
0.6011 Remote Similarity NPD3400 Discontinued
0.601 Remote Similarity NPD6042 Phase 2
0.601 Remote Similarity NPD42 Phase 2
0.6 Remote Similarity NPD2488 Approved
0.6 Remote Similarity NPD2490 Approved
0.599 Remote Similarity NPD7090 Clinical (unspecified phase)
0.5989 Remote Similarity NPD6663 Approved
0.5988 Remote Similarity NPD6775 Clinical (unspecified phase)
0.5979 Remote Similarity NPD4678 Approved
0.5979 Remote Similarity NPD6746 Phase 2
0.5979 Remote Similarity NPD7133 Discontinued
0.5979 Remote Similarity NPD4675 Approved
0.5978 Remote Similarity NPD8323 Discontinued
0.5977 Remote Similarity NPD6007 Clinical (unspecified phase)
0.597 Remote Similarity NPD7962 Phase 2
0.5969 Remote Similarity NPD7046 Clinical (unspecified phase)
0.5968 Remote Similarity NPD4123 Phase 3
0.5967 Remote Similarity NPD4173 Approved

Structure

External Identifiers

PubChem CID   53319040
ChEMBL   CHEMBL1651042
ZINC  

Physicochemical Properties

Molecular Weight:  592.35
ALogP:  0.2279
MLogP:  4.43
XLogP:  5.523
# Rotatable Bonds:  15
Polar Surface Area:  104.12
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  43

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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