Natural Product: NPC302939

Natural Product ID:  NPC302939
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H18O
Standard InCHIKey:  WEEGYLXZBRQIMU-WAAGHKOSSA-N
Standard InCHI:  InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
Canonical SMILES:  C[C@]12CC[C@H](CC1)C(O2)(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
NPO16119 Eucalyptus hybrid Species Myrtaceae Eukaryota UNPD*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO9087 Sarcococca vagans Species Buxaceae Eukaryota UNPD*
NPO3341 Leishmania major Species Trypanosomatidae Eukaryota UNPD*
NPO26094 Stolonica socialis Species Styelidae Eukaryota UNPD*
NPO29705 Viticis fructus Species Curculionidae Eukaryota TCMSP*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMSP*
NPO7028 Sida veronicaefolia Species Malvaceae Eukaryota UNPD*
NPO6320 Echinosophora koreensis Species Fabaceae Eukaryota UNPD*
NPO29571 Magnoliae flos NA NA NA TCMSP*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO1467 Wedelia prostrata Species Asteraceae Eukaryota UNPD*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota TCMSP*
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*
NPO6894 Elegia deusta Species Restionaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO29538 Curcumae radix NA NA NA TCMSP*
NPO2999 Coprinellus flocculosus Species Psathyrellaceae Eukaryota UNPD*
NPO29622 Siphonostegiae herba NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO9476 Metapenaeus bennettae Species Penaeidae Eukaryota UNPD*
NPO9002 Herba patriniae NA NA NA TCMSP*
NPO17399 Kadsurae coccineae radix et caulis NA NA NA TCMSP*
NPO28938 Artemisia coerulescens Species Asteraceae Eukaryota UNPD*
NPO9962 Pocillopora damicornis Species Pocilloporidae Eukaryota UNPD*
NPO29697 Menthae herba NA NA NA TCMSP*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO10107 Melaleuca alternifolia Species Myrtaceae Eukaryota Leaves PMID[16418522]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota UNPD*
NPO29626 Foeniculi fructus NA NA NA TCMSP*
NPO29551 Mori fructus NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO16877 Aconitum episcopale Species Ranunculaceae Eukaryota UNPD*
NPO29613 Cyperi rhizoma NA NA NA TCMSP*
NPO29728 Kaempferiae rhizoma NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[8866111]
NPO26195 Tephrosia crassifolia Species Geometridae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO6517 Chrysanthemi flos NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23454028]
NPO9221 Trachelospermum lucidum Species Apocynaceae Eukaryota UNPD*
NPO10766 Alpiniae officinarum rhizome NA NA NA TCMSP*
NPO29414 Schizonepetae herba NA NA NA TCMSP*
NPO14477 Comamonas testosteroni Species Comamonadaceae Bacteria UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota UNPD*
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO29374 Anisi stellati fructus NA NA NA TCMSP*
NPO9733 Spongia bilamellata Species Spongiidae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota UNPD*
NPO29568 Nardostachyos radix et rhizoma NA NA NA TCMSP*
NPO29629 Viticis negundo folium Species Curculionidae Eukaryota TCMSP*
NPO15902 Iris spuria Species Iridaceae Eukaryota UNPD*
NPO6378 Wilcoxia viperina NA NA NA UNPD*
NPO3827 Violsse herba NA NA NA TCMSP*
NPO24765 Viticis cannabifoliae fructus Species Curculionidae Eukaryota TCMSP*
NPO24071 Girgensohnia diptera Species Chenopodiaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota UNPD*
NPO29579 Arisaematis rhizoma NA NA NA TCMSP*
NPO18744 Verbenae herb NA NA NA TCMSP*
NPO3741 Pagrus major Species Sparidae Eukaryota UNPD*
NPO777 Kielmeyera coriacea Species Calophyllaceae Eukaryota UNPD*
NPO24083.1 Melanelixia fuliginosa subsp. glabratula Subspecies Parmeliaceae Eukaryota UNPD*
NPO29717 Glechomae herba NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO7909 Parmelia vittata Species Parmeliaceae Eukaryota UNPD*
NPO4120 Ulmus americana Species Ulmaceae Eukaryota UNPD*
NPO13438 Centaurea calcitrapa Species Asteraceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO29610 Aristolochiae fructus NA NA NA TCMSP*
NPO6801 Bellium bellidioides Species Asteraceae Eukaryota UNPD*
NPO4523 Reaumuria hirtella Species Tamaricaceae Eukaryota UNPD*
NPO1682 Rhytidoponera metallica Species Formicidae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO8253 Alexandrium hiranoi Species Gonyaulacaceae Eukaryota UNPD*
NPO8022 Consolida hohenackeri Species Ranunculaceae Eukaryota UNPD*
NPO9590 Xanthoria aureola Species Teloschistaceae Eukaryota UNPD*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO1505 Amomum tsao-ko Species Zingiberaceae Eukaryota TCMSP*
NPO12970 Aspergillus fischeri Species Aspergillaceae Eukaryota UNPD*
NPO7650 Salvia munzii Species Lamiaceae Eukaryota UNPD*
NPO3939 Ardisia arborescens Species Primulaceae Eukaryota UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO3295 Herba clinopodii polycephali NA NA NA TCMSP*
NPO5604 Chelonia japonica Species Cheloniidae Eukaryota UNPD*
NPO6556 Garcinia intermedia Species Clusiaceae Eukaryota UNPD*
NPO16266 Didymium bahiense Species Didymiaceae Eukaryota UNPD*
NPO29667 Scutellariae radix NA NA NA TCMSP*
NPO11262 Alpinia katsumadai hayat Species Staphylinidae Eukaryota TCMSP*
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota UNPD*
NPO14793 Erica glauca Species Ericaceae Eukaryota UNPD*
NPO9995 Cynara humilis Species Asteraceae Eukaryota UNPD*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TCMSP*
NPO29642 Centipedae herba NA NA NA TCMSP*
NPO13926 Protaetia cuprea Species Scarabaeidae Eukaryota UNPD*
NPO745 Rubus trifidus Species Rosaceae Eukaryota UNPD*
NPO5852 Litsea glutinosa Species Lauraceae Eukaryota UNPD*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO11762 Agrimonia eupatoria Species Rosaceae Eukaryota TCMSP*
NPO16552 Aromia moschata Species Cerambycidae Eukaryota UNPD*
NPO1070 Matricaria suffruticosa Species Asteraceae Eukaryota UNPD*
NPO26898 Jacobaea vulgaris Species Asteraceae Eukaryota UNPD*
NPO12536 Flemingia prostrata roxb Species Fabaceae Eukaryota TCMSP*
NPO20120 Asari radix et rhizoma NA NA NA TCMSP*
NPO29597 Perillae fructus NA NA NA TCMSP*
NPO29593 Prunellae spica NA NA NA TCMSP*
NPO7847 Senecio densiflorus Species Asteraceae Eukaryota UNPD*
NPO2015 Udotea petiolata Species Udoteaceae Eukaryota UNPD*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO5603 Eupatorium fortunei turcz Species Asteraceae Eukaryota TCMSP*
NPO2199 Tecoma pentaphylla Species Bignoniaceae Eukaryota UNPD*
NPO15558 Leucas neufliseana Species Lamiaceae Eukaryota UNPD*
NPO29594 Herba taxilli NA NA NA TCMSP*
NPO27105 Borneolum syntheticum NA NA NA TCMSP*
NPO4895 Coleus esquirolii Species Lamiaceae Eukaryota UNPD*
NPO27180 Inula urumoffii Species Asteraceae Eukaryota UNPD*
NPO26257 Celastri orbiculati fructus NA NA NA TCMSP*
NPO29556 Piperis longi fructus NA NA NA TCMSP*
NPO14126 Garcinia oligantha Species Clusiaceae Eukaryota UNPD*
NPO8432 Haminoea orbignyana Species Haminoeidae Eukaryota UNPD*
NPO4843 Gossampiniflos NA NA NA TCMSP*
NPO1753 Schisandrae chinensis fructus NA NA NA TCMSP*
NPO10264 Platonia insignis Species Clusiaceae Eukaryota UNPD*
NPO15193 Cacia concinna NA NA NA UNPD*
NPO29581 Dalbergiae odoriferae lignum NA NA NA TCMSP*
NPO3867 Smallanthus glabratus Species Asteraceae Eukaryota UNPD*
NPO8642 Lithospermum officinale Species Boraginaceae Eukaryota UNPD*
NPO27497 Strychnos castelnaeana Species Loganiaceae Eukaryota UNPD*
NPO11144 Centella asiatica Species Apiaceae Eukaryota TCMSP*
NPO7841 Solanum transcaucasicum Species Solanaceae Eukaryota UNPD*
NPO10128 Aplysia punctata Species Aplysiidae Eukaryota UNPD*
NPO20059.1 Lactobacillus delbrueckii subsp. bulgaricus Subspecies Lactobacillaceae Bacteria UNPD*
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 30.2 % 20715837
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 28.4 % 20715837
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 22.4 % 20715837
NPT527 Organism Radish Raphanus sativus Activity = 34.1 % 20715837
NPT527 Organism Radish Raphanus sativus Activity = 64.7 % 20715837
NPT527 Organism Radish Raphanus sativus Activity = 37.1 % 20715837
NPT3546 Organism Lolium rigidum Lolium rigidum Activity = 0.1 umol/ml 20715837
NPT527 Organism Radish Raphanus sativus Activity = 0.1 umol/ml 20715837
NPT527 Organism Radish Raphanus sativus Activity = 0.001 umol/ml 20715837

  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 NPC302939 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 NPC287331
0.7955 Intermediate Similarity NPC82843
0.7447 Intermediate Similarity NPC77550
0.7447 Intermediate Similarity NPC108441
0.7 Intermediate Similarity NPC316035
0.6977 Remote Similarity NPC328441
0.6964 Remote Similarity NPC185116
0.6852 Remote Similarity NPC300189
0.6731 Remote Similarity NPC274261
0.6731 Remote Similarity NPC291724
0.6727 Remote Similarity NPC170780
0.6667 Remote Similarity NPC308569
0.6667 Remote Similarity NPC144891
0.6667 Remote Similarity NPC469572
0.6667 Remote Similarity NPC469582
0.66 Remote Similarity NPC84030
0.66 Remote Similarity NPC287550
0.66 Remote Similarity NPC198540
0.66 Remote Similarity NPC223468
0.66 Remote Similarity NPC176309
0.66 Remote Similarity NPC14552
0.66 Remote Similarity NPC147343
0.6531 Remote Similarity NPC313795
0.6481 Remote Similarity NPC102336
0.6481 Remote Similarity NPC36002
0.6441 Remote Similarity NPC469573
0.6429 Remote Similarity NPC210316
0.6364 Remote Similarity NPC202146
0.6364 Remote Similarity NPC32222
0.6346 Remote Similarity NPC294858
0.6316 Remote Similarity NPC236588
0.6316 Remote Similarity NPC135438
0.629 Remote Similarity NPC42630
0.6207 Remote Similarity NPC47663
0.6154 Remote Similarity NPC100445
0.6154 Remote Similarity NPC13105
0.614 Remote Similarity NPC264779
0.614 Remote Similarity NPC3025
0.614 Remote Similarity NPC179024
0.6102 Remote Similarity NPC95958
0.6094 Remote Similarity NPC139785
0.6087 Remote Similarity NPC177022
0.6071 Remote Similarity NPC53209
0.6038 Remote Similarity NPC95969
0.6038 Remote Similarity NPC127997
0.6032 Remote Similarity NPC84562
0.6 Remote Similarity NPC475412
0.6 Remote Similarity NPC84218
0.6 Remote Similarity NPC204173
0.5965 Remote Similarity NPC471269
0.5938 Remote Similarity NPC476928
0.5932 Remote Similarity NPC474769
0.5932 Remote Similarity NPC132998
0.5932 Remote Similarity NPC162685
0.5932 Remote Similarity NPC189290
0.5909 Remote Similarity NPC51956
0.5909 Remote Similarity NPC5209
0.5909 Remote Similarity NPC29005
0.5909 Remote Similarity NPC282454
0.5902 Remote Similarity NPC282694
0.5902 Remote Similarity NPC79576
0.5902 Remote Similarity NPC194208
0.5873 Remote Similarity NPC474768
0.5862 Remote Similarity NPC39068
0.5849 Remote Similarity NPC314087
0.5833 Remote Similarity NPC221022
0.5821 Remote Similarity NPC100586
0.5821 Remote Similarity NPC8004
0.5821 Remote Similarity NPC157777
0.5821 Remote Similarity NPC157422
0.5821 Remote Similarity NPC127283
0.5821 Remote Similarity NPC109457
0.5821 Remote Similarity NPC131506
0.5821 Remote Similarity NPC473279
0.5818 Remote Similarity NPC474331
0.5789 Remote Similarity NPC168518
0.5789 Remote Similarity NPC105780
0.5763 Remote Similarity NPC7491
0.5763 Remote Similarity NPC27853
0.5763 Remote Similarity NPC13789
0.5763 Remote Similarity NPC101285
0.5763 Remote Similarity NPC65786
0.5741 Remote Similarity NPC224987
0.5738 Remote Similarity NPC478126
0.5735 Remote Similarity NPC123122
0.5714 Remote Similarity NPC160261
0.5714 Remote Similarity NPC215118
0.5714 Remote Similarity NPC94897
0.5714 Remote Similarity NPC135077
0.5714 Remote Similarity NPC469759
0.5714 Remote Similarity NPC181255
0.5714 Remote Similarity NPC59570
0.5714 Remote Similarity NPC179169
0.5714 Remote Similarity NPC306195
0.5714 Remote Similarity NPC157781
0.5714 Remote Similarity NPC45270
0.5714 Remote Similarity NPC35519
0.5692 Remote Similarity NPC41542
0.5667 Remote Similarity NPC475515
0.5667 Remote Similarity NPC240206
0.5667 Remote Similarity NPC215671
0.5667 Remote Similarity NPC87296
0.5652 Remote Similarity NPC209666
0.5652 Remote Similarity NPC477508
0.5652 Remote Similarity NPC31046
0.5652 Remote Similarity NPC53868
0.5652 Remote Similarity NPC166250
0.5652 Remote Similarity NPC200167
0.5645 Remote Similarity NPC218585
0.5645 Remote Similarity NPC95804
0.5645 Remote Similarity NPC148174
0.5645 Remote Similarity NPC71460
0.5645 Remote Similarity NPC306750
0.5645 Remote Similarity NPC185547
0.5636 Remote Similarity NPC131623
0.5625 Remote Similarity NPC316546
0.5625 Remote Similarity NPC260116
0.5625 Remote Similarity NPC80463
0.5625 Remote Similarity NPC64123
0.5625 Remote Similarity NPC19311
0.5625 Remote Similarity NPC230047
0.5614 Remote Similarity NPC192962
0.5614 Remote Similarity NPC161473
0.5606 Remote Similarity NPC475786

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302939 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 NPD367 Approved
0.7447 Intermediate Similarity NPD388 Approved
0.7447 Intermediate Similarity NPD386 Approved
0.66 Remote Similarity NPD384 Approved
0.66 Remote Similarity NPD385 Approved
0.65 Remote Similarity NPD371 Approved
0.6042 Remote Similarity NPD1460 Approved
0.6 Remote Similarity NPD1145 Discontinued
0.5909 Remote Similarity NPD2686 Approved
0.5909 Remote Similarity NPD2687 Approved
0.5909 Remote Similarity NPD2254 Approved
0.58 Remote Similarity NPD1462 Approved
0.5652 Remote Similarity NPD1810 Approved
0.5652 Remote Similarity NPD1811 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1231862
ZINC  

Physicochemical Properties

Molecular Weight:  154.14
ALogP:  1.3109
MLogP:  2.45
XLogP:  2.595
# Rotatable Bonds:  3
Polar Surface Area:  9.23
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  11

Download Data

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