Natural Product: NPC283277

Natural Product ID:  NPC283277
Common Name:   Conckurchine
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H32N2
Standard InCHIKey:  ALQAUMHHCJMVID-LQOGWUMHSA-N
Standard InCHI:  InChI=1S/C21H32N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h3,12-13,15-19H,4-11,22H2,1-2H3/t13-,15-,16+,17+,18-,19-,20-,21-/m0/s1
Canonical SMILES:  N[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N=C2)C)C1)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
NPO14603 Flindersia australis Species Rutaceae Eukaryota UNPD*
NPO21147 Anisocycla grandidieri Species Menispermaceae Eukaryota UNPD*
NPO26605 Funtumia elastica Species Apocynaceae Eukaryota UNPD*
NPO14583 Elsholtzia stauntonii Species Lamiaceae Eukaryota UNPD*
NPO1421 Papaver hybrid Species Papaveraceae Eukaryota UNPD*
NPO10834 Protea compacta Species Proteaceae Eukaryota UNPD*
NPO4862 Westiellopsis prolifica Species Hapalosiphonaceae Bacteria UNPD*
NPO13993 Dimelaena thysanota Species Caliciaceae Eukaryota UNPD*
NPO9025 Croton balsamifer Species Euphorbiaceae Eukaryota UNPD*
NPO26044 Melandrium firmum NA NA NA UNPD*
NPO11532 Bidens parviflora Species Asteraceae Eukaryota UNPD*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota UNPD*
NPO13898 Typhonium flagelliforme Species Araceae Eukaryota UNPD*
NPO14386 Piper hostmannianum Species Piperaceae Eukaryota UNPD*
NPO8641 Haemanthus tigrinus Species Amaryllidaceae Eukaryota UNPD*
NPO6627 Pinus bungeana Species Pinaceae Eukaryota UNPD*
NPO5175 Diplospora dubia Species Rubiaceae Eukaryota UNPD*
NPO26674 Leucas volkensii Species Lamiaceae Eukaryota UNPD*
NPO765 Holarrhena pubescens Species Apocynaceae Eukaryota UNPD*
NPO805 Myrmicaria opaciventris Species Formicidae Eukaryota UNPD*
NPO11334 Rubus moluccanus Species Rosaceae Eukaryota UNPD*
NPO24703 Prostanthera prunelloides Species Lamiaceae Eukaryota UNPD*
NPO3577 Bambusa tulda Species Poaceae Eukaryota UNPD*
NPO12589 Heliotropium angiospermum Species Heliotropiaceae Eukaryota UNPD*
NPO13117 Asparagus setaceus Species Asparagaceae Eukaryota UNPD*
NPO11073 Alpinia formosana Species Zingiberaceae Eukaryota UNPD*
NPO10561 Mentha suaveolens Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 12 ug/ml 10.1007/s00044-011-9767-1

  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 NPC283277 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
0.962 High Similarity NPC24733
0.8193 Intermediate Similarity NPC329782
0.8193 Intermediate Similarity NPC118329
0.8193 Intermediate Similarity NPC152039
0.8095 Intermediate Similarity NPC472312
0.8072 Intermediate Similarity NPC12035
0.7975 Intermediate Similarity NPC21773
0.7849 Intermediate Similarity NPC167419
0.7805 Intermediate Similarity NPC7214
0.7778 Intermediate Similarity NPC476904
0.7765 Intermediate Similarity NPC474122
0.7738 Intermediate Similarity NPC211322
0.7531 Intermediate Similarity NPC265789
0.7386 Intermediate Similarity NPC21667
0.7216 Intermediate Similarity NPC140685
0.7191 Intermediate Similarity NPC171639
0.7143 Intermediate Similarity NPC166458
0.7079 Intermediate Similarity NPC215474
0.7059 Intermediate Similarity NPC125828
0.7033 Intermediate Similarity NPC152684
0.6931 Remote Similarity NPC474583
0.6796 Remote Similarity NPC230677
0.6782 Remote Similarity NPC259989
0.6782 Remote Similarity NPC476308
0.6782 Remote Similarity NPC174803
0.6737 Remote Similarity NPC249312
0.6731 Remote Similarity NPC25340
0.6707 Remote Similarity NPC37792
0.6667 Remote Similarity NPC138409
0.6667 Remote Similarity NPC53276
0.6667 Remote Similarity NPC84171
0.6667 Remote Similarity NPC184919
0.6625 Remote Similarity NPC219621
0.6593 Remote Similarity NPC257962
0.6585 Remote Similarity NPC469970
0.6571 Remote Similarity NPC169375
0.6526 Remote Similarity NPC43308
0.6512 Remote Similarity NPC476329
0.6505 Remote Similarity NPC471083
0.6505 Remote Similarity NPC58200
0.6505 Remote Similarity NPC152718
0.65 Remote Similarity NPC311809
0.6489 Remote Similarity NPC147513
0.6489 Remote Similarity NPC75810
0.6465 Remote Similarity NPC243985
0.6465 Remote Similarity NPC476754
0.6465 Remote Similarity NPC280710
0.6456 Remote Similarity NPC472830
0.6449 Remote Similarity NPC175585
0.6436 Remote Similarity NPC474164
0.6422 Remote Similarity NPC56796
0.6421 Remote Similarity NPC56107
0.6421 Remote Similarity NPC157479
0.6364 Remote Similarity NPC476753
0.6364 Remote Similarity NPC476752
0.6353 Remote Similarity NPC271640
0.6346 Remote Similarity NPC50815
0.6346 Remote Similarity NPC226509
0.6341 Remote Similarity NPC145715
0.6341 Remote Similarity NPC472544
0.6321 Remote Similarity NPC195841
0.6321 Remote Similarity NPC233256
0.6311 Remote Similarity NPC239768
0.6311 Remote Similarity NPC275686
0.6311 Remote Similarity NPC128698
0.6311 Remote Similarity NPC135799
0.6296 Remote Similarity NPC317778
0.6282 Remote Similarity NPC123194
0.6279 Remote Similarity NPC472831
0.6275 Remote Similarity NPC240650
0.6265 Remote Similarity NPC473959
0.625 Remote Similarity NPC469769
0.6239 Remote Similarity NPC472313
0.6226 Remote Similarity NPC469958
0.6226 Remote Similarity NPC119329
0.6211 Remote Similarity NPC471867
0.6204 Remote Similarity NPC159367
0.619 Remote Similarity NPC176012
0.619 Remote Similarity NPC247060
0.6182 Remote Similarity NPC474459
0.6182 Remote Similarity NPC79238
0.6176 Remote Similarity NPC247220
0.6176 Remote Similarity NPC476903
0.6173 Remote Similarity NPC472827
0.6173 Remote Similarity NPC21781
0.617 Remote Similarity NPC471868
0.617 Remote Similarity NPC224072
0.6146 Remote Similarity NPC182106
0.6146 Remote Similarity NPC311769
0.6145 Remote Similarity NPC474086
0.6132 Remote Similarity NPC98765
0.6132 Remote Similarity NPC90538
0.6126 Remote Similarity NPC474452
0.6125 Remote Similarity NPC475696
0.6125 Remote Similarity NPC474528
0.6125 Remote Similarity NPC474415
0.6118 Remote Similarity NPC474456
0.6117 Remote Similarity NPC184033
0.6095 Remote Similarity NPC118275
0.6092 Remote Similarity NPC245223
0.6092 Remote Similarity NPC124384
0.6064 Remote Similarity NPC90150
0.6049 Remote Similarity NPC324944
0.6047 Remote Similarity NPC476135
0.6 Remote Similarity NPC39966
0.5981 Remote Similarity NPC45365
0.5981 Remote Similarity NPC293299
0.5976 Remote Similarity NPC152211
0.5976 Remote Similarity NPC474420
0.5976 Remote Similarity NPC474455
0.5976 Remote Similarity NPC28755
0.5976 Remote Similarity NPC474454
0.5976 Remote Similarity NPC475716
0.596 Remote Similarity NPC259252
0.596 Remote Similarity NPC34754
0.596 Remote Similarity NPC324405
0.5952 Remote Similarity NPC477740
0.5926 Remote Similarity NPC173815
0.5926 Remote Similarity NPC470369
0.5926 Remote Similarity NPC470370
0.5926 Remote Similarity NPC474457
0.5921 Remote Similarity NPC22765
0.5921 Remote Similarity NPC17518
0.5905 Remote Similarity NPC91604
0.5882 Remote Similarity NPC476682
0.5882 Remote Similarity NPC93027
0.5875 Remote Similarity NPC469770
0.5872 Remote Similarity NPC86906
0.5872 Remote Similarity NPC55462
0.587 Remote Similarity NPC25110
0.5862 Remote Similarity NPC176107
0.5856 Remote Similarity NPC95920
0.5856 Remote Similarity NPC253645
0.5856 Remote Similarity NPC147835
0.5856 Remote Similarity NPC85001
0.5851 Remote Similarity NPC57599
0.5844 Remote Similarity NPC200129
0.5843 Remote Similarity NPC472543
0.5823 Remote Similarity NPC127944
0.5823 Remote Similarity NPC472828
0.5804 Remote Similarity NPC472359
0.5802 Remote Similarity NPC318036
0.5795 Remote Similarity NPC20610
0.5794 Remote Similarity NPC474582
0.5778 Remote Similarity NPC110615
0.5769 Remote Similarity NPC311164
0.5769 Remote Similarity NPC272732
0.5752 Remote Similarity NPC66862
0.5747 Remote Similarity NPC92327
0.573 Remote Similarity NPC182815
0.5688 Remote Similarity NPC241879
0.5679 Remote Similarity NPC470893
0.5678 Remote Similarity NPC35037
0.5667 Remote Similarity NPC159577
0.5667 Remote Similarity NPC475728
0.5667 Remote Similarity NPC35734
0.5667 Remote Similarity NPC282593
0.5664 Remote Similarity NPC72753
0.566 Remote Similarity NPC140300
0.5656 Remote Similarity NPC237286
0.5612 Remote Similarity NPC477584
0.5604 Remote Similarity NPC470078
0.5604 Remote Similarity NPC115023

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283277 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
0.6988 Remote Similarity NPD6939 Phase 2
0.6988 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6706 Remote Similarity NPD5365 Phase 2
0.6465 Remote Similarity NPD5771 Approved
0.6139 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5644 Remote Similarity NPD4722 Approved
0.5644 Remote Similarity NPD4723 Approved
0.5604 Remote Similarity NPD4243 Approved

Structure

External Identifiers

PubChem CID   76330309
ChEMBL   CHEMBL2262637
ZINC  

Physicochemical Properties

Molecular Weight:  312.26
ALogP:  -0.7235
MLogP:  3.55
XLogP:  4.189
# Rotatable Bonds:  3
Polar Surface Area:  38.38
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  23

Download Data

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