Natural Product: NPC299131
Natural Product ID:   | NPC299131 |
Common Name*:   | IYGGNHPGPBRZNF-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | IYGGNHPGPBRZNF-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C27H40O11/c1-14(2)8-20(29)37-19-10-26(32)18(12-34-25(36-17(7)28)23(26)27(19)13-35-27)11-33-24(31)22(16(5)6)38-21(30)9-15(3)4/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3 |
SMILES:   | CC(C)CC(=O)OC1CC2(C(=COC(C2C21CO2)OC(=O)C)COC(=O)C(C(C)C)OC(=O)CC(C)C)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
5318683 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000264] Organic acids and derivatives
-
[CHEMONTID:0000265] Carboxylic acids and derivatives
[CHEMONTID:0002966] Tetracarboxylic 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 |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
DOI[10.1007/s11306-014-0728-9] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1038/sdata.2014.29] |
NPO1552 |
Euonymus japonicus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1039/P19890001079] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
cone |
n.a. |
PMID[10336650] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[10785419] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11171227] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11559179] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[12398547] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[12576668] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679315] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16252923] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
cone |
n.a. |
PMID[17624889] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18001808] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[18164718] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18611049] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18768384] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19476340] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20815207] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20853876] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20954721] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21319773] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[21319773] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21625478] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21912858] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22060189] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
cone |
n.a. |
PMID[22111577] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[22166201] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22207282] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[22396124] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22537213] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[22723874] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[22932311] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23371463] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23479199] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23501116] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[23721280] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23790907] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23806866] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Flowers |
Lasa, China |
n.a. |
PMID[24621197] |
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] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24948953] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25564559] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[25891114] |
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] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
latex |
n.a. |
PMID[27294120] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27748595] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28485933] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29154541] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
Root barks |
n.a. |
n.a. |
PMID[3097265] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
Aerial Parts |
n.a. |
n.a. |
PMID[32991171] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[547813] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8987503] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Bud |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO1552 |
Euonymus japonicus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25014 |
Achillea millefolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14108 |
Nardostachys jatamansi |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
Database[MetaboLights] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[MetaboLights] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1552 |
Euonymus japonicus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25014 |
Achillea millefolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14108 |
Nardostachys jatamansi |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20603 |
Delphinus delphis |
Species |
Delphinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14108 |
Nardostachys jatamansi |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1552 |
Euonymus japonicus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25014 |
Achillea millefolium |
Species |
Asteraceae |
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] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28265 |
Morus alba |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14108 |
Nardostachys jatamansi |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14108 |
Nardostachys jatamansi |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15544 |
Cnidium monnieri |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25014 |
Achillea millefolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21080 |
Solanum lycopersicum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10449 |
Arctium lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1552 |
Euonymus japonicus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17694 |
Nicotiana tabacum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18311 |
Carthamus tinctorius |
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] |
NPO13879 |
Humulus lupulus |
Species |
Cannabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17333 |
Valeriana officinalis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20603 |
Delphinus delphis |
Species |
Delphinidae |
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 NPC299131 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 | 254 |
0.1-0.2 | 2105 |
0.2-0.3 | 6792 |
0.3-0.4 | 15421 |
0.4-0.5 | 9441 |
0.5-0.6 | 7021 |
0.6-0.7 | 1525 |
0.7-0.8 | 117 |
0.8-0.85 | 3 |
0.85-0.9 | 5 |
0.9-0.95 | 9 |
0.95-1 | 4 |
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 NPC299131 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 279 |
0.1-0.2 | 2828 |
0.2-0.3 | 3783 |
0.3-0.4 | 1584 |
0.4-0.5 | 459 |
0.5-0.6 | 198 |
0.6-0.7 | 19 |
0.7-0.8 | 0 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |