Natural Product: NPC152438

Natural Product ID:  NPC152438
Common Name:   Cis-Furanoid
IUPAC Name:   2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Synonyms:  
Molecular Formula:   C10H18O2
Standard InCHIKey:  BRHDDEIRQPDPMG-PSASIEDQSA-N
Standard InCHI:  InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
Canonical SMILES:  C=C[C@]1(C)CC[C@@H](O1)C(O)(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
NPO9386 Ectropis bicolor Species Geometridae Eukaryota UNPD*
NPO13427 Erinaceus europaeus Species Erinaceidae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO15312 Coelogorgia palmosa Species Coelogorgiidae Eukaryota UNPD*
NPO11644 Prosopis ruscifolia Species Fabaceae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO14442 Gouania microcarpa Species Gobiesocidae Eukaryota UNPD*
NPO5482 Gymnanthemum amygdalinum Species Asteraceae Eukaryota UNPD*
NPO7077 Canarium strictum Species Burseraceae Eukaryota UNPD*
NPO12547 Viburnum chingii Species Adoxaceae Eukaryota UNPD*
NPO8671 Physalis solanaceus Species Solanaceae Eukaryota UNPD*
NPO7718 Peucedanum palustre Species Apiaceae Eukaryota UNPD*
NPO15884 Dodonaea polyandra Species Sapindaceae Eukaryota UNPD*
NPO14111 Maytenus serrata Species Celastraceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO15679 Amyris marshii Species Rutaceae Eukaryota UNPD*
NPO7792 Coreopsis grandiflora Species Asteraceae Eukaryota UNPD*
NPO12951 Talaromyces coalescens Species Trichocomaceae Eukaryota UNPD*
NPO22053 Vepris pilosa Species Rutaceae Eukaryota UNPD*
NPO15570 Plectranthus mollis Species Lamiaceae Eukaryota UNPD*
NPO13952 Streptomyces lavendulae Species Streptomycetaceae Bacteria UNPD*
NPO16109 Actinidia kolomikta Species Actinidiaceae Eukaryota UNPD*
NPO26256 Zanthoxylum chiriquinum Species Rutaceae Eukaryota UNPD*
NPO15178 Psychotria bahiensis Species Rubiaceae Eukaryota UNPD*
NPO11962 Garcinia macrophylla Species Clusiaceae Eukaryota UNPD*
NPO16541 Veratrum stenophyllum Species Melanthiaceae Eukaryota UNPD*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO651 Aconitum vilmorinianum Species Ranunculaceae Eukaryota UNPD*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO12457 Siphocampylus verticillatus Species Campanulaceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO13740 Aconitum kamtschaticum Species Ranunculaceae Eukaryota UNPD*
NPO13273 Maytenus loeseneri Species Celastraceae Eukaryota UNPD*
NPO14747 Usnea florida Species Parmeliaceae Eukaryota UNPD*
NPO16625 Phalaenopsis aphrodite Species Orchidaceae Eukaryota UNPD*
NPO13582 Leucopaxillus giganteus Species Tricholomataceae Eukaryota UNPD*
NPO10452 Odontites rubra Species Orobanchaceae Eukaryota UNPD*
NPO10899 Ophioparma ventosa Species Ophioparmaceae Eukaryota UNPD*
NPO16311 Rusavskia elegans Species Teloschistaceae Eukaryota UNPD*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO4083 Brevibacillus laterosporus Species Paenibacillaceae Bacteria UNPD*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO4795 Prunus armeniaca Species Rosaceae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO1723 Sideritis syriaca Species Lamiaceae Eukaryota UNPD*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO12470 Brachyspira hyodysenteriae Species Brachyspiraceae Bacteria UNPD*
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota TM-MC*
NPO14604 Dipteronia dyeriana Species Aceraceae Eukaryota UNPD*
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota TM-MC*
NPO6978 Boronella koniambiensis Species Rutaceae Eukaryota UNPD*
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota TM-MC*
NPO15434 Rhodomicrobium vannielii Species Hyphomicrobiaceae Bacteria UNPD*
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota TM-MC*
NPO2607 Ophiorrhiza blumeana Species Rubiaceae Eukaryota UNPD*
NPO22056.1 Streptomyces fervens Subspecies Streptomycetaceae Bacteria UNPD*
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota TM-MC*
NPO5750 Monomorium floricola Species Formicidae Eukaryota UNPD*
NPO3697 Ongokea klaineana Species Aptandraceae Eukaryota UNPD*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO11376 Schistostephium rotundifolium Species Asteraceae Eukaryota UNPD*
NPO14914 Esox saurus Species Esocidae Eukaryota UNPD*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO16307 Murraya kwangsiensis Species Rutaceae Eukaryota UNPD*
NPO15159 Podocarpus salignus Species Podocarpaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae MIC > 2375 ug/ml 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 57.4 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 48.1 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 44.4 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 40.7 % 16719518
NPT2798 Organism Colletotrichum camelliae Colletotrichum camelliae GI = 37 % 16719518

  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 NPC152438 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 NPC41180
0.8438 Intermediate Similarity NPC472947
0.8387 Intermediate Similarity NPC250836
0.8033 Intermediate Similarity NPC469694
0.7353 Intermediate Similarity NPC16964
0.7246 Intermediate Similarity NPC129630
0.7213 Intermediate Similarity NPC227135
0.7162 Intermediate Similarity NPC476701
0.7143 Intermediate Similarity NPC306085
0.7042 Intermediate Similarity NPC143576
0.7042 Intermediate Similarity NPC476709
0.7027 Intermediate Similarity NPC137345
0.7027 Intermediate Similarity NPC181838
0.6957 Remote Similarity NPC310210
0.6933 Remote Similarity NPC72755
0.6933 Remote Similarity NPC476367
0.6901 Remote Similarity NPC474590
0.6892 Remote Similarity NPC476703
0.6866 Remote Similarity NPC31496
0.6849 Remote Similarity NPC12696
0.68 Remote Similarity NPC477089
0.6786 Remote Similarity NPC15162
0.6765 Remote Similarity NPC473722
0.6757 Remote Similarity NPC329626
0.6757 Remote Similarity NPC236228
0.6757 Remote Similarity NPC256720
0.6753 Remote Similarity NPC5361
0.6714 Remote Similarity NPC473294
0.6714 Remote Similarity NPC471472
0.6714 Remote Similarity NPC272961
0.6712 Remote Similarity NPC190859
0.6712 Remote Similarity NPC471525
0.6667 Remote Similarity NPC103171
0.6667 Remote Similarity NPC281590
0.6623 Remote Similarity NPC76054
0.6622 Remote Similarity NPC36479
0.662 Remote Similarity NPC304690
0.662 Remote Similarity NPC74722
0.6582 Remote Similarity NPC471340
0.6579 Remote Similarity NPC3852
0.6571 Remote Similarity NPC82337
0.6567 Remote Similarity NPC64971
0.6562 Remote Similarity NPC24443
0.6533 Remote Similarity NPC170148
0.6533 Remote Similarity NPC229655
0.6533 Remote Similarity NPC293223
0.6522 Remote Similarity NPC471200
0.6515 Remote Similarity NPC83838
0.6515 Remote Similarity NPC143810
0.65 Remote Similarity NPC474780
0.6494 Remote Similarity NPC233295
0.6494 Remote Similarity NPC291260
0.6486 Remote Similarity NPC474280
0.6471 Remote Similarity NPC50435
0.6463 Remote Similarity NPC476948
0.6462 Remote Similarity NPC52012
0.6447 Remote Similarity NPC474278
0.6447 Remote Similarity NPC471454
0.6429 Remote Similarity NPC267027
0.642 Remote Similarity NPC47958
0.642 Remote Similarity NPC329749
0.642 Remote Similarity NPC149725
0.642 Remote Similarity NPC470175
0.642 Remote Similarity NPC304509
0.6418 Remote Similarity NPC258788
0.641 Remote Similarity NPC474592
0.641 Remote Similarity NPC472948
0.6393 Remote Similarity NPC131623
0.6375 Remote Similarity NPC250315
0.6375 Remote Similarity NPC231601
0.6364 Remote Similarity NPC137587
0.6341 Remote Similarity NPC476015
0.6341 Remote Similarity NPC311163
0.6341 Remote Similarity NPC475019
0.6341 Remote Similarity NPC474762
0.6341 Remote Similarity NPC474949
0.6338 Remote Similarity NPC259299
0.6338 Remote Similarity NPC193029
0.6338 Remote Similarity NPC161612
0.6338 Remote Similarity NPC73603
0.6338 Remote Similarity NPC473357
0.6338 Remote Similarity NPC33583
0.6329 Remote Similarity NPC246621
0.6316 Remote Similarity NPC46248
0.6316 Remote Similarity NPC249801
0.631 Remote Similarity NPC473564
0.631 Remote Similarity NPC133450
0.631 Remote Similarity NPC307411
0.6301 Remote Similarity NPC474078
0.6286 Remote Similarity NPC86856
0.6282 Remote Similarity NPC5908
0.6282 Remote Similarity NPC110373
0.6282 Remote Similarity NPC80471
0.6282 Remote Similarity NPC475210
0.6269 Remote Similarity NPC278202
0.6265 Remote Similarity NPC186148
0.6265 Remote Similarity NPC190753
0.625 Remote Similarity NPC305698
0.6235 Remote Similarity NPC474761
0.6235 Remote Similarity NPC51004
0.6235 Remote Similarity NPC177668
0.6235 Remote Similarity NPC476004
0.6234 Remote Similarity NPC476439
0.622 Remote Similarity NPC298595
0.622 Remote Similarity NPC34581
0.622 Remote Similarity NPC471494
0.6212 Remote Similarity NPC121034
0.6212 Remote Similarity NPC474577
0.6203 Remote Similarity NPC186072
0.6197 Remote Similarity NPC327815
0.6197 Remote Similarity NPC311736
0.619 Remote Similarity NPC228415
0.619 Remote Similarity NPC177629
0.619 Remote Similarity NPC58219
0.619 Remote Similarity NPC202672
0.619 Remote Similarity NPC87189
0.6184 Remote Similarity NPC217725
0.6184 Remote Similarity NPC81052
0.6176 Remote Similarity NPC127824
0.6173 Remote Similarity NPC27314
0.6173 Remote Similarity NPC49208
0.6173 Remote Similarity NPC263087
0.6173 Remote Similarity NPC31019
0.6173 Remote Similarity NPC2379
0.6173 Remote Similarity NPC477978
0.6173 Remote Similarity NPC106912
0.6163 Remote Similarity NPC30515
0.6163 Remote Similarity NPC12172
0.6163 Remote Similarity NPC184463
0.6163 Remote Similarity NPC208886
0.6154 Remote Similarity NPC13823
0.6154 Remote Similarity NPC264610
0.6154 Remote Similarity NPC326753
0.6154 Remote Similarity NPC68119
0.6145 Remote Similarity NPC255143
0.6145 Remote Similarity NPC478112
0.6145 Remote Similarity NPC472379
0.6143 Remote Similarity NPC300593
0.6143 Remote Similarity NPC476702
0.6136 Remote Similarity NPC107476
0.6125 Remote Similarity NPC471661
0.6125 Remote Similarity NPC118116
0.6125 Remote Similarity NPC15978
0.6125 Remote Similarity NPC77003
0.6125 Remote Similarity NPC474894
0.6118 Remote Similarity NPC49783
0.6118 Remote Similarity NPC474951
0.6118 Remote Similarity NPC92974
0.6118 Remote Similarity NPC299527
0.6118 Remote Similarity NPC173926
0.6111 Remote Similarity NPC59442
0.6111 Remote Similarity NPC163290
0.6104 Remote Similarity NPC126969
0.6104 Remote Similarity NPC268111
0.6104 Remote Similarity NPC476606
0.6098 Remote Similarity NPC475963
0.6098 Remote Similarity NPC151176
0.6098 Remote Similarity NPC3464
0.6098 Remote Similarity NPC186155
0.6098 Remote Similarity NPC78673
0.6098 Remote Similarity NPC160517
0.6092 Remote Similarity NPC476300
0.6092 Remote Similarity NPC212486
0.6092 Remote Similarity NPC475912
0.6092 Remote Similarity NPC81419
0.6092 Remote Similarity NPC179746
0.6081 Remote Similarity NPC329904
0.6081 Remote Similarity NPC473361
0.6081 Remote Similarity NPC471781
0.6076 Remote Similarity NPC471537
0.6076 Remote Similarity NPC86971
0.6071 Remote Similarity NPC248602
0.6071 Remote Similarity NPC160138
0.6053 Remote Similarity NPC477422
0.6049 Remote Similarity NPC477390
0.6049 Remote Similarity NPC471408
0.6049 Remote Similarity NPC259858
0.6049 Remote Similarity NPC474252
0.6049 Remote Similarity NPC477385
0.6049 Remote Similarity NPC474291
0.6047 Remote Similarity NPC474249
0.6047 Remote Similarity NPC197107
0.6047 Remote Similarity NPC206614
0.6047 Remote Similarity NPC473448
0.6047 Remote Similarity NPC471569
0.6047 Remote Similarity NPC261990
0.6047 Remote Similarity NPC474323
0.6029 Remote Similarity NPC473866
0.6029 Remote Similarity NPC475931
0.6027 Remote Similarity NPC273508
0.6027 Remote Similarity NPC209327
0.6026 Remote Similarity NPC475711
0.6026 Remote Similarity NPC169994
0.6026 Remote Similarity NPC84360
0.6026 Remote Similarity NPC40049
0.6024 Remote Similarity NPC196911
0.6024 Remote Similarity NPC470658
0.6024 Remote Similarity NPC471379
0.6024 Remote Similarity NPC21469
0.6024 Remote Similarity NPC11804

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC152438 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
0.6176 Remote Similarity NPD1145 Discontinued
0.5882 Remote Similarity NPD7524 Approved
0.5882 Remote Similarity NPD585 Clinical (unspecified phase)
0.5862 Remote Similarity NPD7838 Discovery
0.5857 Remote Similarity NPD368 Approved
0.5833 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5694 Remote Similarity NPD371 Approved
0.5647 Remote Similarity NPD1733 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6428573
ChEMBL   CHEMBL2252948
ZINC  

Physicochemical Properties

Molecular Weight:  170.13
ALogP:  0.759
MLogP:  2.34
XLogP:  1.559
# Rotatable Bonds:  6
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  12

Download Data

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