Natural Product: NPC95969

Natural Product ID:  NPC95969
Common Name:   Globulol
IUPAC Name:   (1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
Synonyms:   Globulol
Molecular Formula:   C15H26O
Standard InCHIKey:  AYXPYQRXGNDJFU-QTPLKFIXSA-N
Standard InCHI:  InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,15-/m1/s1
Canonical SMILES:  C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)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
NPO4682 Lindera aggregata Species Lauraceae Eukaryota TM-MC*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota TM-MC*
NPO29650 Lysimachiae herba NA NA NA TCMSP*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO1736 Stephaniae tetrandrae radix NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO29629 Viticis negundo folium Species Curculionidae Eukaryota TCMSP*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO6323 Croci stigma NA NA NA TCMSP*
NPO15810 Zea mays Species Poaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota TM-MC*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO15388 Eucalyptus globulus Species Myrtaceae Eukaryota PMID[22934600]
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO19652 Pittosporum phillyraeoides Species Pittosporaceae Eukaryota UNPD*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO19593 Placida dendritica Species Limapontiidae Eukaryota UNPD*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO5929 Neoscopelus microchir Species Neoscopelidae Eukaryota UNPD*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO15427 Lactarius lilacinus Species Russulaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO8589 Triticum aestivum Species Poaceae Eukaryota UNPD*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO17062 Psidium guayava Species Myrtaceae Eukaryota UNPD*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO17965 Helenium arizonicum Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT563 Organism Escherichia coli O157:H7 Escherichia coli O157:H7 GI = 0 % 14969531
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI = 8.3 % 14969531
NPT564 Organism Listeria monocytogenes Listeria monocytogenes GI = 6.3 % 14969531
NPT565 Organism Vibrio parahaemolyticus Vibrio parahaemolyticus GI = 0 % 14969531
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium GI = 0.8 % 14969531
NPT314 Organism Bacillus cereus Bacillus cereus GI = 1.9 % 14969531

  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 NPC95969 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 NPC127997
0.8824 High Similarity NPC45387
0.8491 Intermediate Similarity NPC291147
0.8182 Intermediate Similarity NPC184049
0.8182 Intermediate Similarity NPC99480
0.7647 Intermediate Similarity NPC294858
0.7593 Intermediate Similarity NPC32222
0.7593 Intermediate Similarity NPC202146
0.7544 Intermediate Similarity NPC95958
0.7544 Intermediate Similarity NPC475968
0.7333 Intermediate Similarity NPC328441
0.7333 Intermediate Similarity NPC199937
0.7321 Intermediate Similarity NPC3025
0.7288 Intermediate Similarity NPC95804
0.7288 Intermediate Similarity NPC185547
0.7213 Intermediate Similarity NPC165069
0.7193 Intermediate Similarity NPC119425
0.7143 Intermediate Similarity NPC277917
0.7143 Intermediate Similarity NPC166894
0.7143 Intermediate Similarity NPC89069
0.7143 Intermediate Similarity NPC178223
0.7143 Intermediate Similarity NPC283655
0.7091 Intermediate Similarity NPC161473
0.7069 Intermediate Similarity NPC162685
0.7049 Intermediate Similarity NPC128608
0.6949 Remote Similarity NPC52431
0.6949 Remote Similarity NPC310228
0.6949 Remote Similarity NPC5698
0.6923 Remote Similarity NPC14552
0.6897 Remote Similarity NPC150713
0.6897 Remote Similarity NPC278550
0.6897 Remote Similarity NPC29976
0.6833 Remote Similarity NPC323153
0.6818 Remote Similarity NPC471660
0.6786 Remote Similarity NPC192962
0.6774 Remote Similarity NPC69149
0.6731 Remote Similarity NPC108441
0.6731 Remote Similarity NPC77550
0.6721 Remote Similarity NPC15152
0.6667 Remote Similarity NPC41577
0.6667 Remote Similarity NPC474380
0.6667 Remote Similarity NPC473276
0.6618 Remote Similarity NPC471659
0.6567 Remote Similarity NPC471662
0.6562 Remote Similarity NPC469328
0.6557 Remote Similarity NPC252809
0.6557 Remote Similarity NPC135648
0.6515 Remote Similarity NPC470830
0.6515 Remote Similarity NPC299948
0.6515 Remote Similarity NPC241085
0.6508 Remote Similarity NPC219940
0.65 Remote Similarity NPC476735
0.65 Remote Similarity NPC215671
0.65 Remote Similarity NPC475515
0.65 Remote Similarity NPC87296
0.6491 Remote Similarity NPC36002
0.6491 Remote Similarity NPC102336
0.6462 Remote Similarity NPC475884
0.6462 Remote Similarity NPC473230
0.6462 Remote Similarity NPC136813
0.6458 Remote Similarity NPC177022
0.6452 Remote Similarity NPC71460
0.6452 Remote Similarity NPC148174
0.6452 Remote Similarity NPC218585
0.6441 Remote Similarity NPC274396
0.6429 Remote Similarity NPC471658
0.6406 Remote Similarity NPC475943
0.6406 Remote Similarity NPC472946
0.6406 Remote Similarity NPC243469
0.6406 Remote Similarity NPC190827
0.6393 Remote Similarity NPC469321
0.6349 Remote Similarity NPC249078
0.6349 Remote Similarity NPC209686
0.6349 Remote Similarity NPC236099
0.6349 Remote Similarity NPC474480
0.6349 Remote Similarity NPC114891
0.6346 Remote Similarity NPC144891
0.6338 Remote Similarity NPC188793
0.6324 Remote Similarity NPC195530
0.6324 Remote Similarity NPC473279
0.6296 Remote Similarity NPC83187
0.6296 Remote Similarity NPC198540
0.6296 Remote Similarity NPC84030
0.6296 Remote Similarity NPC147343
0.6296 Remote Similarity NPC176309
0.6296 Remote Similarity NPC223468
0.6296 Remote Similarity NPC287550
0.6296 Remote Similarity NPC98246
0.6296 Remote Similarity NPC285814
0.629 Remote Similarity NPC162109
0.6271 Remote Similarity NPC471269
0.625 Remote Similarity NPC61665
0.6232 Remote Similarity NPC476422
0.6232 Remote Similarity NPC473238
0.6232 Remote Similarity NPC472341
0.623 Remote Similarity NPC10017
0.6226 Remote Similarity NPC313795
0.6212 Remote Similarity NPC63190
0.6212 Remote Similarity NPC474221
0.6212 Remote Similarity NPC478180
0.6212 Remote Similarity NPC48079
0.6212 Remote Similarity NPC130459
0.62 Remote Similarity NPC221022
0.619 Remote Similarity NPC210346
0.619 Remote Similarity NPC147524
0.619 Remote Similarity NPC63111
0.6167 Remote Similarity NPC39068
0.6167 Remote Similarity NPC179024
0.6167 Remote Similarity NPC264779
0.6154 Remote Similarity NPC205618
0.6154 Remote Similarity NPC477009
0.6154 Remote Similarity NPC469326
0.6154 Remote Similarity NPC261782
0.6154 Remote Similarity NPC238352
0.6154 Remote Similarity NPC300442
0.6154 Remote Similarity NPC82843
0.6119 Remote Similarity NPC472741
0.6119 Remote Similarity NPC167527
0.6119 Remote Similarity NPC473225
0.6119 Remote Similarity NPC474756
0.6102 Remote Similarity NPC53209
0.6094 Remote Similarity NPC211291
0.6094 Remote Similarity NPC133368
0.6087 Remote Similarity NPC473267
0.6087 Remote Similarity NPC8004
0.6087 Remote Similarity NPC127283
0.6081 Remote Similarity NPC471656
0.6071 Remote Similarity NPC316035
0.6066 Remote Similarity NPC135438
0.6066 Remote Similarity NPC236588
0.6061 Remote Similarity NPC142712
0.6056 Remote Similarity NPC131584
0.6056 Remote Similarity NPC139765
0.6056 Remote Similarity NPC186851
0.6038 Remote Similarity NPC287331
0.6038 Remote Similarity NPC23145
0.6038 Remote Similarity NPC90803
0.6038 Remote Similarity NPC302939
0.6038 Remote Similarity NPC90506
0.6032 Remote Similarity NPC475412
0.6032 Remote Similarity NPC84218
0.6029 Remote Similarity NPC196197
0.6029 Remote Similarity NPC107919
0.6029 Remote Similarity NPC474962
0.6029 Remote Similarity NPC66407
0.6029 Remote Similarity NPC254037
0.6029 Remote Similarity NPC129829
0.6 Remote Similarity NPC159654
0.6 Remote Similarity NPC281540
0.6 Remote Similarity NPC309300
0.6 Remote Similarity NPC167995
0.6 Remote Similarity NPC471661
0.6 Remote Similarity NPC216941
0.6 Remote Similarity NPC287744
0.6 Remote Similarity NPC118937
0.6 Remote Similarity NPC195489
0.6 Remote Similarity NPC140233
0.5972 Remote Similarity NPC182848
0.597 Remote Similarity NPC74885
0.597 Remote Similarity NPC308522
0.597 Remote Similarity NPC472253
0.597 Remote Similarity NPC472255
0.5968 Remote Similarity NPC189290
0.5968 Remote Similarity NPC474769
0.5965 Remote Similarity NPC131623
0.5942 Remote Similarity NPC477850
0.5942 Remote Similarity NPC282454
0.5942 Remote Similarity NPC133873
0.5942 Remote Similarity NPC231945
0.5942 Remote Similarity NPC18543
0.5942 Remote Similarity NPC192192
0.5942 Remote Similarity NPC475728
0.5938 Remote Similarity NPC475807
0.5921 Remote Similarity NPC475849
0.5915 Remote Similarity NPC478130
0.5915 Remote Similarity NPC254509
0.5915 Remote Similarity NPC145552
0.5915 Remote Similarity NPC196358
0.5915 Remote Similarity NPC5046
0.5915 Remote Similarity NPC49168
0.5909 Remote Similarity NPC80463
0.589 Remote Similarity NPC475031
0.589 Remote Similarity NPC264602
0.5873 Remote Similarity NPC87828
0.5873 Remote Similarity NPC230070
0.5873 Remote Similarity NPC9880
0.5867 Remote Similarity NPC66766
0.5867 Remote Similarity NPC117137
0.5862 Remote Similarity NPC307022
0.5857 Remote Similarity NPC41886
0.5857 Remote Similarity NPC109457
0.5857 Remote Similarity NPC1340
0.5857 Remote Similarity NPC100586
0.5857 Remote Similarity NPC470071
0.5857 Remote Similarity NPC127094
0.5857 Remote Similarity NPC187471
0.5857 Remote Similarity NPC157422
0.5857 Remote Similarity NPC311102
0.5857 Remote Similarity NPC252182
0.5857 Remote Similarity NPC157777

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95969 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
0.6731 Remote Similarity NPD388 Approved
0.6731 Remote Similarity NPD386 Approved
0.6296 Remote Similarity NPD384 Approved
0.6296 Remote Similarity NPD385 Approved
0.6154 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6119 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6119 Remote Similarity NPD5360 Phase 3
0.6038 Remote Similarity NPD367 Approved
0.6029 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5942 Remote Similarity NPD4787 Phase 1
0.5857 Remote Similarity NPD4758 Discontinued
0.5857 Remote Similarity NPD4243 Approved
0.5821 Remote Similarity NPD4224 Phase 2
0.5714 Remote Similarity NPD343 Approved
0.5714 Remote Similarity NPD344 Approved
0.5714 Remote Similarity NPD345 Approved
0.5714 Remote Similarity NPD4789 Approved
0.5694 Remote Similarity NPD4784 Approved
0.5694 Remote Similarity NPD6926 Approved
0.5694 Remote Similarity NPD4785 Approved
0.5694 Remote Similarity NPD6924 Approved
0.5652 Remote Similarity NPD6705 Phase 1
0.5634 Remote Similarity NPD6081 Approved
0.5634 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5634 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3198 Approved
0.5616 Remote Similarity NPD4190 Phase 3
0.5616 Remote Similarity NPD5275 Approved
0.5616 Remote Similarity NPD3702 Approved

Structure

External Identifiers

PubChem CID   12304985
ChEMBL   CHEMBL2171207
ZINC  

Physicochemical Properties

Molecular Weight:  222.20
ALogP:  1.2587
MLogP:  3
XLogP:  5.078
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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