Natural Product: NPC200872
Natural Product ID:   | NPC200872 |
Common Name*:   | XUZYVFYOPRXTRB-RFENDNRVSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | XUZYVFYOPRXTRB-RFENDNRVSA-N |
Standard InCHI:   | InChI=1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2/t19-,20+,29?,30-/m1/s1 |
SMILES:   | c1c(cc(c(c1O)O)O)C(=O)O[C@@H](C=O)[C@H](C1[C@@H](COC(=O)c2cc(c(c(c2-c2c(cc(c(c2O)O)O)C(=O)O1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
50990002 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000238] Tannins
[CHEMONTID:0001710] Hydrolyzable tannins
|
*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 |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1007/BF00579992] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/j.foodchem.2010.03.088] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Anhui province, China |
|
DOI[10.1016/j.foodres.2020.109416] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Gansu province, China |
|
DOI[10.1016/j.foodres.2020.109416] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Henan province, China |
|
DOI[10.1016/j.foodres.2020.109416] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Shandong province, China |
|
DOI[10.1016/j.foodres.2020.109416] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Shanxi province, China |
|
DOI[10.1016/j.foodres.2020.109416] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
DOI[10.1021/np50028a032] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
DOI[10.2174/092986712800229032] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[10993241] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[1402962] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[14727919] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[14727919] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[16926516] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
pericarp |
n.a. |
PMID[18496782] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19402674] |
NPO30226 |
Paeonia albiflora |
Species |
Paeoniaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[19691309] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[19721258] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[19772486] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[20806783] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21782011] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[22190295] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
flower buds |
n.a. |
n.a. |
PMID[22834923] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23265441] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[23497864] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25466114] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[26838074] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Flower Buds |
n.a. |
n.a. |
PMID[26977531] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[27313650] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[27429639] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[28737396] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[29741372] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30395460] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31738062] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
HeZe, ShanDong, China |
early autumn (from August to the beginning of September |
PMID[32545196] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32569471] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[32951423] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
Seeds |
Xinjiang,China |
|
PMID[33063333] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[4013523] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7561894] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7908950] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[8759159] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8759159] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8904847] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9834152] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
Database[Article] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO1879 |
Feijoa sellowiana |
Species |
Myrtaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO1879 |
Feijoa sellowiana |
Species |
Myrtaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Embryo |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Stem Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
Testa |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO9776 |
Tellima grandifolia |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO31117 |
Feijoa sellowiana |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30975 |
Fuchsia |
Genus |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO31336 |
Rosa sp |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30226 |
Paeonia albiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO1879 |
Feijoa sellowiana |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3009 |
Rosa sp. |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9776 |
Tellima grandifolia |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10813 |
Fuchsia sp. |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31117 |
Feijoa sellowiana |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO30226 |
Paeonia albiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5067 |
Taxus baccata |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9776 |
Tellima grandifolia |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18674 |
Juglans regia |
Species |
Juglandaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1879 |
Feijoa sellowiana |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9798 |
Paeonia lactiflora |
Species |
Paeoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28778 |
Eucalyptus viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3129 |
Geum japonicum |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3987 |
Syzygium aromaticum |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23380 |
Camellia japonica |
Species |
Theaceae |
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 NPC200872 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 | 407 |
0.1-0.2 | 1612 |
0.2-0.3 | 3707 |
0.3-0.4 | 8555 |
0.4-0.5 | 9641 |
0.5-0.6 | 4643 |
0.6-0.7 | 6157 |
0.7-0.8 | 6846 |
0.8-0.85 | 978 |
0.85-0.9 | 140 |
0.9-0.95 | 11 |
0.95-1 | 0 |
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 NPC200872 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 373 |
0.1-0.2 | 927 |
0.2-0.3 | 1915 |
0.3-0.4 | 2715 |
0.4-0.5 | 1844 |
0.5-0.6 | 933 |
0.6-0.7 | 308 |
0.7-0.8 | 120 |
0.8-0.85 | 13 |
0.85-0.9 | 2 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |