Natural Product: NPC97131
Natural Product ID:   | NPC97131 |
Common Name*:   | AWLJZFUREZNLGG-YNDNJQNWSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | AWLJZFUREZNLGG-YNDNJQNWSA-N |
Standard InCHI:   | InChI=1S/C20H18O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-21H,7-9H2/t12-,17-,18+,19+,20-/m1/s1 |
SMILES:   | c1cc2c(cc1[C@H]1[C@@H]3CO[C@@H](c4ccc5c(c4)OCO5)[C@@H]3[C@H](O)O1)OCO2
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
n.a. |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0001392] Lignans, neolignans and related compounds
-
[CHEMONTID:0003686] Furanoid lignans
|
*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 |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
fruit |
n.a. |
DOI[10.1007/s00217-007-0799-1] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.1016/j.foodchem.2011.01.077] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11520216] |
NPO20652 |
Phytolacca acinosa |
Species |
Phytolaccaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12932140] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[15095145] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[15620261] |
NPO20779 |
Garcinia hombroniana |
Species |
Clusiaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[16124765] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17559265] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
mycelium |
n.a. |
PMID[17932820] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20121251] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
fruiting body |
n.a. |
n.a. |
PMID[21028898] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[21028898] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
fruiting body |
n.a. |
n.a. |
PMID[21115251] |
NPO20842 |
Beauveria felina |
Species |
Cordycipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21438588] |
NPO20146 |
Cladiella krempfi |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21861494] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[21899269] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22612410] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23517145] |
NPO20842 |
Beauveria felina |
Species |
Cordycipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23822585] |
NPO20842 |
Beauveria felina |
Species |
Cordycipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26295595] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31891260] |
NPO22052 |
Aspergillus candidus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[5391291] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[8594142] |
NPO15630 |
Manduca sexta |
Species |
Sphingidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8748375] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Stem Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Twig |
n.a. |
n.a. |
Database[FooDB] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22976 |
Ruta microcarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21096 |
Cardiospermum halicacabum |
Species |
Sapindaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4176 |
Mosla scabra |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16414 |
Thuja plicata |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6926 |
Colubrina asiatica |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16414 |
Thuja plicata |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21096 |
Cardiospermum halicacabum |
Species |
Sapindaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4176 |
Mosla scabra |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20652 |
Phytolacca acinosa |
Species |
Phytolaccaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11787 |
Orthosiphon wulfenioides |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6395 |
Phedimus kamtschaticus |
Species |
Crassulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29466 |
Triglochin maritima |
Species |
Juncaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22121 |
Piper arboreum |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22976 |
Ruta microcarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6926 |
Colubrina asiatica |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20652 |
Phytolacca acinosa |
Species |
Phytolaccaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21096 |
Cardiospermum halicacabum |
Species |
Sapindaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22976 |
Ruta microcarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28912 |
Astragalus gummifer |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20652 |
Phytolacca acinosa |
Species |
Phytolaccaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21603 |
Eskemukerjea megacarpum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23010 |
Crinum defixum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12362 |
Coreopsis fasciculata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14403 |
Taiwanofungus camphoratus |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20096 |
Cirsium japonicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22568 |
Aristolochia elegans |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11557 |
Echinus miliaris |
Species |
Echinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20652 |
Phytolacca acinosa |
Species |
Phytolaccaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27240 |
Alcyonium grandis |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22829 |
Ozoroa insignis |
Species |
Anacardiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21227 |
Aglaia elaeagnoidea |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2780 |
Brenneria rubrifaciens |
Species |
Pectobacteriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22893 |
Apterostigma dentigerum |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21096 |
Cardiospermum halicacabum |
Species |
Sapindaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20209 |
Dorstenia lindeniana |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29200 |
Moquiniastrum paniculatum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6533 |
Dipterocarpus pilosus |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29466 |
Triglochin maritima |
Species |
Juncaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20332 |
Dioscoreophyllum cumminsii |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20146 |
Cladiella krempfi |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15630 |
Manduca sexta |
Species |
Sphingidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22763 |
Cuphea carthagenensis |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17660 |
Podocarpus lawrencei |
Species |
Podocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20972 |
Oscillatoria princeps |
Species |
Oscillatoriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22976 |
Ruta microcarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13355 |
Selinum carvifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4176 |
Mosla scabra |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25603 |
Lycoris x chejuensis |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22052 |
Aspergillus candidus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21473 |
Urtica triangularis |
Species |
Urticaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19899 |
Crepis foetida |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22381 |
Euphorbia segetalis |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22447 |
Sidastrum acuminatum |
Species |
Malvaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21282 |
Aplidium orthium |
Species |
Polyclinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20842 |
Beauveria felina |
Species |
Cordycipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11787 |
Orthosiphon wulfenioides |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22509 |
Syncolostemon parviflorus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16414 |
Thuja plicata |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23953 |
Zanthoxylum monophyllum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6926 |
Colubrina asiatica |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22121 |
Piper arboreum |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22250 |
Parastrephia lepidophylla |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21859 |
Centaurea nigrescens |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21991 |
Modiolus demissus |
Species |
Mytilidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20779 |
Garcinia hombroniana |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4909 |
Hilliardiella oligocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28912 |
Astragalus gummifer |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21349 |
Punica granatum |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6395 |
Phedimus kamtschaticus |
Species |
Crassulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21730 |
Pouzolzia occidentalis |
Species |
Urticaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21420 |
Phormia regina |
Species |
Calliphoridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22315 |
Phlogacanthus thyrsiflorus |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22635 |
Penstemon secundiflorus |
Species |
Plantaginaceae |
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 NPC97131 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 | 422 |
0.1-0.2 | 1325 |
0.2-0.3 | 3714 |
0.3-0.4 | 9821 |
0.4-0.5 | 9458 |
0.5-0.6 | 7111 |
0.6-0.7 | 8018 |
0.7-0.8 | 2292 |
0.8-0.85 | 338 |
0.85-0.9 | 150 |
0.9-0.95 | 36 |
0.95-1 | 12 |
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 NPC97131 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 324 |
0.1-0.2 | 784 |
0.2-0.3 | 1845 |
0.3-0.4 | 2855 |
0.4-0.5 | 1787 |
0.5-0.6 | 1073 |
0.6-0.7 | 430 |
0.7-0.8 | 51 |
0.8-0.85 | 1 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |