Natural Product: NPC102981

Natural Product ID:  NPC102981
Common Name:   n.a.
IUPAC Name:  
Synonyms:   (+)-Chiro-Inositol
Molecular Formula:   C6H12O6
Standard InCHIKey:  CDAISMWEOUEBRE-LKPKBOIGSA-N
Standard InCHI:  InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1
Canonical SMILES:  O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]([C@H]1O)O)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
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO9582 Ormocarpum kirkii Species Fabaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO7776 Pithomyces chartarum Species Pleosporaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO9335 Gomophia watsoni NA NA NA UNPD*
NPO5716 Mallotus nudiflorus Species Euphorbiaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO9982 Heptacyclum zenkeri NA NA NA UNPD*
NPO7397 Tephrosia obovata Species Fabaceae Eukaryota UNPD*
NPO539 Picea vulgaris Species Pinaceae Eukaryota UNPD*
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO7196 Jaborosa parviflora Species Solanaceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO3823 Helichrysum stirlingii Species Asteraceae Eukaryota UNPD*
NPO14062 Oophaga speciosa Species Dendrobatidae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO2746 Apis cerana Species Apidae Eukaryota UNPD*
NPO2858 Ercolania funerea Species Limapontiidae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO9121 Mori follum NA NA NA TCMSP*
NPO5840 Stellaria heterophylla Species Caryophyllaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO2601 Ovis aries Species Bovidae Eukaryota UNPD*
NPO10253 Pithecellobium dulce Species Fabaceae Eukaryota UNPD*
NPO15592 Swertia punctata Species Gentianaceae Eukaryota UNPD*
NPO1277 Pamburus missionis Species Rutaceae Eukaryota UNPD*
NPO8629 Ruppia maritima Species Cymodoceaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO24974 Zingiber montanum Species Zingiberaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 7375.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 1256100 nM 22290077
NPT671 Individual Protein Acidic alpha-glucosidase Rattus norvegicus Inhibition < 30 % 22290077
NPT462 Individual Protein Sucrase-isomaltase Rattus norvegicus Inhibition < 30 % 22290077
NPT10 Individual Protein Geminin Homo sapiens Potency 231.1 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 NPC102981 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
1.0 High Similarity NPC88278
1.0 High Similarity NPC227707
1.0 High Similarity NPC111882
1.0 High Similarity NPC99573
0.9024 High Similarity NPC207656
0.9024 High Similarity NPC107091
0.8649 High Similarity NPC86412
0.8649 High Similarity NPC325034
0.8649 High Similarity NPC66052
0.8649 High Similarity NPC293908
0.8649 High Similarity NPC192065
0.8605 High Similarity NPC314613
0.8605 High Similarity NPC88638
0.8222 Intermediate Similarity NPC325822
0.8222 Intermediate Similarity NPC61270
0.8049 Intermediate Similarity NPC266553
0.7838 Intermediate Similarity NPC197207
0.7838 Intermediate Similarity NPC127074
0.7838 Intermediate Similarity NPC182541
0.7838 Intermediate Similarity NPC187058
0.7838 Intermediate Similarity NPC149070
0.7708 Intermediate Similarity NPC278465
0.7708 Intermediate Similarity NPC322803
0.7708 Intermediate Similarity NPC321102
0.7708 Intermediate Similarity NPC325153
0.75 Intermediate Similarity NPC320240
0.75 Intermediate Similarity NPC70756
0.7347 Intermediate Similarity NPC244869
0.7347 Intermediate Similarity NPC300235
0.7347 Intermediate Similarity NPC476136
0.7347 Intermediate Similarity NPC476149
0.7174 Intermediate Similarity NPC69445
0.7174 Intermediate Similarity NPC165846
0.7174 Intermediate Similarity NPC176017
0.7174 Intermediate Similarity NPC285364
0.7174 Intermediate Similarity NPC21209
0.7174 Intermediate Similarity NPC255377
0.7174 Intermediate Similarity NPC92246
0.7174 Intermediate Similarity NPC289758
0.7174 Intermediate Similarity NPC73906
0.7174 Intermediate Similarity NPC199857
0.7111 Intermediate Similarity NPC29721
0.7027 Intermediate Similarity NPC33415
0.7027 Intermediate Similarity NPC301586
0.7027 Intermediate Similarity NPC325345
0.7021 Intermediate Similarity NPC277475
0.7021 Intermediate Similarity NPC321087
0.6875 Remote Similarity NPC318700
0.6875 Remote Similarity NPC14144
0.6875 Remote Similarity NPC188428
0.6852 Remote Similarity NPC182903
0.6757 Remote Similarity NPC320326
0.6735 Remote Similarity NPC157193
0.6735 Remote Similarity NPC282143
0.6735 Remote Similarity NPC299781
0.6735 Remote Similarity NPC42503
0.6727 Remote Similarity NPC174485
0.6667 Remote Similarity NPC230789
0.6667 Remote Similarity NPC252918
0.66 Remote Similarity NPC323574
0.6545 Remote Similarity NPC476209
0.6531 Remote Similarity NPC247546
0.6531 Remote Similarity NPC112363
0.6531 Remote Similarity NPC172086
0.6522 Remote Similarity NPC86191
0.6522 Remote Similarity NPC213159
0.6522 Remote Similarity NPC298699
0.6522 Remote Similarity NPC317182
0.6522 Remote Similarity NPC134252
0.6522 Remote Similarity NPC291502
0.6471 Remote Similarity NPC326533
0.6471 Remote Similarity NPC124963
0.6471 Remote Similarity NPC23134
0.6471 Remote Similarity NPC233726
0.64 Remote Similarity NPC82512
0.625 Remote Similarity NPC240994
0.6226 Remote Similarity NPC242073
0.6226 Remote Similarity NPC323361
0.6226 Remote Similarity NPC269166
0.6226 Remote Similarity NPC58629
0.6226 Remote Similarity NPC145112
0.6226 Remote Similarity NPC157514
0.6226 Remote Similarity NPC317501
0.6226 Remote Similarity NPC246558
0.6226 Remote Similarity NPC130683
0.6226 Remote Similarity NPC314821
0.6226 Remote Similarity NPC317626
0.6226 Remote Similarity NPC89145
0.6226 Remote Similarity NPC67660
0.6226 Remote Similarity NPC165198
0.6226 Remote Similarity NPC107914
0.6216 Remote Similarity NPC213764
0.619 Remote Similarity NPC227267
0.617 Remote Similarity NPC320189
0.617 Remote Similarity NPC228782
0.617 Remote Similarity NPC259982
0.617 Remote Similarity NPC313565
0.6154 Remote Similarity NPC329095
0.6111 Remote Similarity NPC303727
0.6053 Remote Similarity NPC560
0.6038 Remote Similarity NPC277878
0.6038 Remote Similarity NPC103672
0.6038 Remote Similarity NPC320043
0.6 Remote Similarity NPC94897
0.6 Remote Similarity NPC110884
0.5968 Remote Similarity NPC179823
0.5968 Remote Similarity NPC57788
0.5968 Remote Similarity NPC53879
0.5946 Remote Similarity NPC157340
0.5946 Remote Similarity NPC199270
0.5926 Remote Similarity NPC196612
0.5918 Remote Similarity NPC62014
0.5893 Remote Similarity NPC148424
0.5818 Remote Similarity NPC327257
0.5789 Remote Similarity NPC219040
0.5789 Remote Similarity NPC88887
0.5789 Remote Similarity NPC140389
0.5789 Remote Similarity NPC220922
0.5789 Remote Similarity NPC472025
0.5789 Remote Similarity NPC232554
0.5789 Remote Similarity NPC275462
0.575 Remote Similarity NPC159845
0.5714 Remote Similarity NPC267243
0.5714 Remote Similarity NPC122962
0.5692 Remote Similarity NPC321873
0.569 Remote Similarity NPC290179
0.569 Remote Similarity NPC34877
0.569 Remote Similarity NPC317023
0.569 Remote Similarity NPC322855
0.569 Remote Similarity NPC320032
0.569 Remote Similarity NPC170172
0.5641 Remote Similarity NPC252154
0.5614 Remote Similarity NPC3547
0.56 Remote Similarity NPC38891
0.56 Remote Similarity NPC270088
0.56 Remote Similarity NPC242655

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC102981 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
1.0 High Similarity NPD8996 Phase 3
1.0 High Similarity NPD8995 Clinical (unspecified phase)
0.9024 High Similarity NPD9219 Approved
0.9024 High Similarity NPD9218 Clinical (unspecified phase)
0.8649 High Similarity NPD9051 Approved
0.8649 High Similarity NPD9052 Approved
0.8649 High Similarity NPD9053 Approved
0.8222 Intermediate Similarity NPD9061 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD8814 Phase 3
0.7273 Intermediate Similarity NPD8957 Approved
0.7273 Intermediate Similarity NPD8958 Phase 2
0.7174 Intermediate Similarity NPD8999 Phase 3
0.7174 Intermediate Similarity NPD8997 Approved
0.7174 Intermediate Similarity NPD8998 Phase 2
0.7174 Intermediate Similarity NPD8993 Phase 1
0.7174 Intermediate Similarity NPD8994 Approved
0.7174 Intermediate Similarity NPD9000 Phase 3
0.7111 Intermediate Similarity NPD9006 Approved
0.7027 Intermediate Similarity NPD8988 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD8549 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8965 Approved
0.6875 Remote Similarity NPD9065 Phase 3
0.6875 Remote Similarity NPD8966 Approved
0.6744 Remote Similarity NPD8976 Approved
0.6744 Remote Similarity NPD8977 Phase 3
0.6531 Remote Similarity NPD9005 Phase 3
0.6531 Remote Similarity NPD9139 Approved
0.6531 Remote Similarity NPD9003 Clinical (unspecified phase)
0.6531 Remote Similarity NPD9004 Approved
0.6522 Remote Similarity NPD8788 Approved
0.6471 Remote Similarity NPD8991 Phase 1
0.6471 Remote Similarity NPD905 Approved
0.6471 Remote Similarity NPD904 Phase 3
0.6226 Remote Similarity NPD889 Approved
0.6226 Remote Similarity NPD9036 Phase 3
0.6226 Remote Similarity NPD895 Approved
0.6226 Remote Similarity NPD890 Clinical (unspecified phase)
0.6226 Remote Similarity NPD887 Approved
0.6226 Remote Similarity NPD891 Phase 3
0.6226 Remote Similarity NPD893 Approved
0.6226 Remote Similarity NPD9035 Clinical (unspecified phase)
0.6226 Remote Similarity NPD892 Phase 3
0.6226 Remote Similarity NPD888 Phase 3
0.6226 Remote Similarity NPD894 Approved
0.6154 Remote Similarity NPD9001 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9002 Approved
0.6038 Remote Similarity NPD9010 Approved
0.6038 Remote Similarity NPD9049 Discontinued
0.6038 Remote Similarity NPD72 Approved
0.6038 Remote Similarity NPD8960 Approved
0.6038 Remote Similarity NPD66 Approved
0.6038 Remote Similarity NPD9011 Approved
0.6038 Remote Similarity NPD9009 Approved
0.6038 Remote Similarity NPD64 Approved
0.6038 Remote Similarity NPD2269 Approved
0.6038 Remote Similarity NPD65 Approved
0.6038 Remote Similarity NPD9008 Approved
0.6038 Remote Similarity NPD9050 Approved
0.6038 Remote Similarity NPD9007 Approved
0.5946 Remote Similarity NPD8226 Approved
0.5789 Remote Similarity NPD8959 Approved
0.5769 Remote Similarity NPD8964 Approved
0.5738 Remote Similarity NPD371 Approved
0.5692 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5614 Remote Similarity NPD2267 Suspended
0.5614 Remote Similarity NPD73 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1231671
ZINC  

Physicochemical Properties

Molecular Weight:  180.06
ALogP:  -3.0642
MLogP:  1.46
XLogP:  -1.458
# Rotatable Bonds:  6
Polar Surface Area:  121.38
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  1
# Heavy Atoms:  12

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs