Natural Product: NPC24733

Natural Product ID:  NPC24733
Common Name:   Conessidine
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H34N2
Standard InCHIKey:  CHMBCKMSXBNZSX-QLPKIABKSA-N
Standard InCHI:  InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,13-14,16-20,23H,5-12H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1
Canonical SMILES:  CN[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
NPO3577 Bambusa tulda Species Poaceae Eukaryota UNPD*
NPO9025 Croton balsamifer Species Euphorbiaceae Eukaryota UNPD*
NPO10561 Mentha suaveolens Species Lamiaceae Eukaryota UNPD*
NPO14386 Piper hostmannianum Species Piperaceae Eukaryota UNPD*
NPO8641 Haemanthus tigrinus Species Amaryllidaceae Eukaryota UNPD*
NPO6627 Pinus bungeana Species Pinaceae Eukaryota UNPD*
NPO11073 Alpinia formosana Species Zingiberaceae Eukaryota UNPD*
NPO10834 Protea compacta Species Proteaceae Eukaryota UNPD*
NPO12589 Heliotropium angiospermum Species Heliotropiaceae Eukaryota UNPD*
NPO14583 Elsholtzia stauntonii Species Lamiaceae Eukaryota UNPD*
NPO14603 Flindersia australis Species Rutaceae Eukaryota UNPD*
NPO13898 Typhonium flagelliforme Species Araceae Eukaryota UNPD*
NPO4862 Westiellopsis prolifica Species Hapalosiphonaceae Bacteria UNPD*
NPO13993 Dimelaena thysanota Species Caliciaceae Eukaryota UNPD*
NPO765 Holarrhena pubescens Species Apocynaceae Eukaryota UNPD*
NPO11334 Rubus moluccanus Species Rosaceae Eukaryota UNPD*
NPO1421 Papaver hybrid Species Papaveraceae Eukaryota UNPD*
NPO11532 Bidens parviflora Species Asteraceae Eukaryota UNPD*
NPO805 Myrmicaria opaciventris Species Formicidae Eukaryota UNPD*
NPO13117 Asparagus setaceus Species Asparagaceae Eukaryota UNPD*
NPO21147 Anisocycla grandidieri Species Menispermaceae 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 = 2.29 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 NPC24733 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 NPC283277
0.8554 High Similarity NPC329782
0.8554 High Similarity NPC118329
0.8554 High Similarity NPC152039
0.8452 Intermediate Similarity NPC472312
0.8434 Intermediate Similarity NPC12035
0.8125 Intermediate Similarity NPC21773
0.8095 Intermediate Similarity NPC211322
0.7952 Intermediate Similarity NPC7214
0.7927 Intermediate Similarity NPC476904
0.7907 Intermediate Similarity NPC474122
0.7683 Intermediate Similarity NPC265789
0.7604 Intermediate Similarity NPC167419
0.7347 Intermediate Similarity NPC140685
0.7333 Intermediate Similarity NPC171639
0.7283 Intermediate Similarity NPC166458
0.7222 Intermediate Similarity NPC215474
0.7209 Intermediate Similarity NPC125828
0.7174 Intermediate Similarity NPC152684
0.7143 Intermediate Similarity NPC21667
0.7126 Intermediate Similarity NPC259989
0.7126 Intermediate Similarity NPC174803
0.7087 Intermediate Similarity NPC230677
0.6979 Remote Similarity NPC84171
0.6951 Remote Similarity NPC469970
0.6857 Remote Similarity NPC25340
0.6842 Remote Similarity NPC43308
0.6829 Remote Similarity NPC53276
0.6796 Remote Similarity NPC58200
0.6768 Remote Similarity NPC476754
0.6739 Remote Similarity NPC257962
0.6733 Remote Similarity NPC474164
0.6731 Remote Similarity NPC474583
0.6729 Remote Similarity NPC175585
0.6707 Remote Similarity NPC472544
0.6706 Remote Similarity NPC271640
0.6667 Remote Similarity NPC476752
0.6667 Remote Similarity NPC476753
0.6635 Remote Similarity NPC152718
0.6635 Remote Similarity NPC471083
0.6632 Remote Similarity NPC147513
0.6632 Remote Similarity NPC75810
0.6604 Remote Similarity NPC233256
0.6604 Remote Similarity NPC195841
0.6602 Remote Similarity NPC135799
0.6562 Remote Similarity NPC157479
0.6562 Remote Similarity NPC56107
0.6556 Remote Similarity NPC476308
0.6545 Remote Similarity NPC56796
0.6531 Remote Similarity NPC249312
0.6526 Remote Similarity NPC471867
0.6514 Remote Similarity NPC472313
0.6476 Remote Similarity NPC226509
0.6476 Remote Similarity NPC176012
0.6476 Remote Similarity NPC50815
0.6471 Remote Similarity NPC37792
0.6455 Remote Similarity NPC474459
0.6455 Remote Similarity NPC79238
0.6442 Remote Similarity NPC275686
0.6437 Remote Similarity NPC184919
0.6437 Remote Similarity NPC138409
0.6396 Remote Similarity NPC474452
0.6389 Remote Similarity NPC169375
0.6386 Remote Similarity NPC219621
0.6381 Remote Similarity NPC118275
0.6355 Remote Similarity NPC469958
0.6341 Remote Similarity NPC21781
0.633 Remote Similarity NPC159367
0.6321 Remote Similarity NPC247060
0.6316 Remote Similarity NPC471868
0.6311 Remote Similarity NPC476903
0.6292 Remote Similarity NPC476329
0.6289 Remote Similarity NPC311769
0.6289 Remote Similarity NPC182106
0.6275 Remote Similarity NPC280710
0.6275 Remote Similarity NPC243985
0.6265 Remote Similarity NPC311809
0.6262 Remote Similarity NPC90538
0.625 Remote Similarity NPC184033
0.625 Remote Similarity NPC124384
0.625 Remote Similarity NPC245223
0.622 Remote Similarity NPC472830
0.6211 Remote Similarity NPC90150
0.6196 Remote Similarity NPC25110
0.617 Remote Similarity NPC57599
0.6132 Remote Similarity NPC239768
0.6132 Remote Similarity NPC128698
0.6126 Remote Similarity NPC85001
0.6126 Remote Similarity NPC147835
0.6126 Remote Similarity NPC253645
0.6126 Remote Similarity NPC95920
0.6118 Remote Similarity NPC145715
0.61 Remote Similarity NPC259252
0.6095 Remote Similarity NPC240650
0.6071 Remote Similarity NPC317778
0.6067 Remote Similarity NPC472831
0.6055 Remote Similarity NPC119329
0.6049 Remote Similarity NPC123194
0.6047 Remote Similarity NPC473959
0.6038 Remote Similarity NPC91604
0.6024 Remote Similarity NPC469769
0.6019 Remote Similarity NPC93027
0.6018 Remote Similarity NPC66862
0.6 Remote Similarity NPC55462
0.6 Remote Similarity NPC86906
0.6 Remote Similarity NPC472543
0.6 Remote Similarity NPC247220
0.5979 Remote Similarity NPC224072
0.5963 Remote Similarity NPC98765
0.5952 Remote Similarity NPC472827
0.5932 Remote Similarity NPC35037
0.593 Remote Similarity NPC474086
0.5929 Remote Similarity NPC72753
0.5929 Remote Similarity NPC472359
0.5926 Remote Similarity NPC474582
0.5909 Remote Similarity NPC474456
0.5905 Remote Similarity NPC311164
0.5905 Remote Similarity NPC272732
0.5904 Remote Similarity NPC474415
0.5904 Remote Similarity NPC475696
0.5904 Remote Similarity NPC474528
0.5902 Remote Similarity NPC237286
0.5843 Remote Similarity NPC476135
0.5833 Remote Similarity NPC324944
0.5818 Remote Similarity NPC241879
0.5818 Remote Similarity NPC45365
0.5818 Remote Similarity NPC293299
0.5816 Remote Similarity NPC39966
0.5812 Remote Similarity NPC304646
0.5812 Remote Similarity NPC28280
0.5794 Remote Similarity NPC140300
0.5784 Remote Similarity NPC34754
0.5784 Remote Similarity NPC324405
0.5765 Remote Similarity NPC474420
0.5765 Remote Similarity NPC474455
0.5765 Remote Similarity NPC152211
0.5765 Remote Similarity NPC28755
0.5765 Remote Similarity NPC474454
0.5765 Remote Similarity NPC475716
0.5747 Remote Similarity NPC477740
0.5714 Remote Similarity NPC470369
0.5714 Remote Similarity NPC477292
0.5714 Remote Similarity NPC173815
0.5714 Remote Similarity NPC470370
0.5714 Remote Similarity NPC474695
0.5714 Remote Similarity NPC474457
0.5696 Remote Similarity NPC22765
0.5696 Remote Similarity NPC17518
0.569 Remote Similarity NPC80834
0.569 Remote Similarity NPC469968
0.5682 Remote Similarity NPC476682
0.5667 Remote Similarity NPC176107
0.5664 Remote Similarity NPC476756
0.5664 Remote Similarity NPC244982
0.5664 Remote Similarity NPC46981
0.5663 Remote Similarity NPC469770
0.5652 Remote Similarity NPC120167
0.5652 Remote Similarity NPC473442
0.5636 Remote Similarity NPC34193
0.5636 Remote Similarity NPC474001
0.5625 Remote Similarity NPC212874
0.5625 Remote Similarity NPC200129
0.561 Remote Similarity NPC472828
0.561 Remote Similarity NPC127944
0.5604 Remote Similarity NPC20610
0.56 Remote Similarity NPC161344

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC24733 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
0.7059 Intermediate Similarity NPD5365 Phase 2
0.6744 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6939 Phase 2
0.6275 Remote Similarity NPD5771 Approved
0.5962 Remote Similarity NPD5769 Clinical (unspecified phase)
0.5826 Remote Similarity NPD7335 Phase 2
0.5826 Remote Similarity NPD7336 Phase 2
0.5826 Remote Similarity NPD7337 Clinical (unspecified phase)
0.566 Remote Similarity NPD3980 Approved
0.566 Remote Similarity NPD3982 Approved
0.5614 Remote Similarity NPD2207 Approved
0.5614 Remote Similarity NPD2206 Approved

Structure

External Identifiers

PubChem CID   22214027
ChEMBL   CHEMBL2262847
ZINC  

Physicochemical Properties

Molecular Weight:  326.27
ALogP:  -0.2917
MLogP:  3.66
XLogP:  4.579
# Rotatable Bonds:  4
Polar Surface Area:  24.39
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  24

Download Data

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