Natural Product: NPC185290
Natural Product ID:   | NPC185290 |
Common Name*:   | PKIXXJPMNDDDOS-MVQNEBOGSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | PKIXXJPMNDDDOS-MVQNEBOGSA-N |
Standard InCHI:   | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3/b7-6+,11-10+ |
SMILES:   | CCCC/C=C/CC/C=C/CCCCCCCC(=O)OC
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
5319705 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0003909] Fatty Acyls
[CHEMONTID:0000504] Lineolic acids and derivatives
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.1002/elan.200403102] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.1016/j.foodchem.2012.02.124] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1016/S0031-9422(00)97029-8] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[11077184] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11141124] |
NPO3699 |
Acacia aulacocarpa |
Species |
Fabaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[11735581] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
flowers |
n.a. |
n.a. |
PMID[12193020] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
leaves |
Niigata City, Niigata Province, Japan |
2000-Nov |
PMID[15730243] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15844965] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16441081] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16675659] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[16933868] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17253842] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[17328234] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
stems and twigs |
Niigata City, Niigata Province, Japan |
2001-NOV |
PMID[17595134] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
stems and twigs |
n.a. |
n.a. |
PMID[17595134] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17602526] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[18321056] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
seeds |
n.a. |
n.a. |
PMID[18603435] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[20469887] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20815207] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[21319773] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[21804227] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
flower buds |
Henan province, China |
2005-MAY |
PMID[21942812] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower bud |
n.a. |
PMID[21942812] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[22074222] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22074222] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22207282] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[23265495] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23806866] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23867078] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[23867078] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[24279769] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24479468] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[24485782] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
root bark |
University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic |
2011-APR |
PMID[24901948] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
Konya, Turkey |
2007-APR |
PMID[24901948] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[24957203] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25445757] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25744461] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
leaves |
Chungbuk, Korea |
n.a. |
PMID[25935644] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[25981820] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26521454] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26841168] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27128895] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
latex |
n.a. |
PMID[27294120] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
Resinous Wood |
n.a. |
n.a. |
PMID[29227647] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29693393] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
Root barks |
n.a. |
n.a. |
PMID[3097265] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32196343] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
Leaves; Stems |
n.a. |
n.a. |
PMID[9214727] |
NPO8583 |
Angelica japonica |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[9987830] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8583 |
Angelica japonica |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25645 |
Flos lonicerae |
Species |
Lycaenidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO31073 |
Ligusticum chuanxiong |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24916 |
Aristolochia debilis |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25645 |
Flos lonicerae |
Species |
Lycaenidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22834 |
Rhizoma chuanxiong |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24916 |
Aristolochia debilis |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29438 |
Radix chuanxiong |
Species |
Lymnaeidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8583 |
Angelica japonica |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7569 |
Guatteria boliviana |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4823 |
Psiadia dentata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19948 |
Neolentinus lepideus |
Species |
Gloeophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8418 |
Anemone flaccida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24916 |
Aristolochia debilis |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31073 |
Ligusticum chuanxiong |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21707 |
Trichosanthes kirilowii |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO24916 |
Aristolochia debilis |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7154 |
Glycyrrhiza uralensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6237 |
Cryptocarya aschersoniana |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8583 |
Angelica japonica |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4823 |
Psiadia dentata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10021 |
Nerium oleander |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO471 |
Ardisia neriifolia |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7569 |
Guatteria boliviana |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3699 |
Acacia aulacocarpa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28679 |
Prunus mume |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3597 |
Rheedia acuminata |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19948 |
Neolentinus lepideus |
Species |
Gloeophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8418 |
Anemone flaccida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5155 |
Peritassa compta |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6729 |
Juniperus brevifolia |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14558 |
Aquilaria sinensis |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5196 |
Eupatorium argentinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  NP Quantity Composition/Concentration
Organism ID |
NP ID |
Organism Material Preparation |
Organism Part |
NP Quantity (Standard) |
NP Quantity (Minimum) |
NP Quantity (Maximum) |
Quantity Unit |
Reference |
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  Biological Activity
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available 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 NPC185290 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 167 |
0.1-0.2 | 3259 |
0.2-0.3 | 17596 |
0.3-0.4 | 12028 |
0.4-0.5 | 6592 |
0.5-0.6 | 2428 |
0.6-0.7 | 456 |
0.7-0.8 | 111 |
0.8-0.85 | 17 |
0.85-0.9 | 30 |
0.9-0.95 | 4 |
0.95-1 | 9 |
Similarity Score |
Similarity Level |
Natural Product ID |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC185290 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 142 |
0.1-0.2 | 3490 |
0.2-0.3 | 3782 |
0.3-0.4 | 1261 |
0.4-0.5 | 347 |
0.5-0.6 | 89 |
0.6-0.7 | 20 |
0.7-0.8 | 9 |
0.8-0.85 | 3 |
0.85-0.9 | 7 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |