Natural Product: NPC56505
Natural Product ID:   | NPC56505 |
Common Name*:   | NMRPBPVERJPACX-MRVPVSSYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | NMRPBPVERJPACX-MRVPVSSYSA-N |
Standard InCHI:   | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1 |
SMILES:   | CCCCC[C@@H](CC)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
445789 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0003909] Fatty Acyls
[CHEMONTID:0001334] Fatty alcohols
|
*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 |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jep.2005.01.054] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.phytochem.2005.10.025] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[11520245] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11754604] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12045343] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[12088434] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[12467621] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[14695801] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16212233] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[16755060] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[17666848] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[1791484] |
NPO25094 |
Artemisia princeps |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17996677] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[18239311] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
spore |
n.a. |
PMID[18827358] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
Roots |
Simao city, Yunnan Province, China |
2007-MAY |
PMID[19374435] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19785430] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19962306] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
fruiting bodies |
Nagano, Japan |
2008-MAY |
PMID[20039640] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20078074] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20384295] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
fruiting bodies |
n.a. |
n.a. |
PMID[20702092] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[21428416] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21707257] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
fruiting bodies |
n.a. |
n.a. |
PMID[21924611] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22014750] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[22044278] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
fruiting body |
n.a. |
n.a. |
PMID[22047696] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[22272932] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22870812] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
root bark |
n.a. |
n.a. |
PMID[23282106] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23435948] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25320841] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
whole plants |
Nanning District, Guangxi Province, China |
2012-Sep |
PMID[25647077] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25737008] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26222905] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
aerial parts |
Seoul, Korea |
n.a. |
PMID[26331882] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
PMID[26982999] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31181920] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31397570] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31418264] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
Aerial Parts |
n.a. |
n.a. |
PMID[32991171] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[9090870] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
fruit body |
n.a. |
PMID[9635497] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25094 |
Artemisia princeps |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25094 |
Artemisia princeps |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11100 |
Artemisia capillaris |
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] |
NPO16609 |
Ganoderma sinense |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25094 |
Artemisia princeps |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO10492 |
Artemisia montana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28276 |
Artemisia argyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16039 |
Scutellaria barbata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25094 |
Artemisia princeps |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16609 |
Ganoderma sinense |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17823 |
Lycium chinense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23429 |
Lycium barbarum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25269 |
Ganoderma lucidum |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10492 |
Artemisia montana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28450 |
Phyllanthus emblica |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
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 NPC56505 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 | 1481 |
0.1-0.2 | 21404 |
0.2-0.3 | 13517 |
0.3-0.4 | 4896 |
0.4-0.5 | 1026 |
0.5-0.6 | 257 |
0.6-0.7 | 68 |
0.7-0.8 | 17 |
0.8-0.85 | 4 |
0.85-0.9 | 17 |
0.9-0.95 | 3 |
0.95-1 | 7 |
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 NPC56505 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 1921 |
0.1-0.2 | 5432 |
0.2-0.3 | 1248 |
0.3-0.4 | 375 |
0.4-0.5 | 131 |
0.5-0.6 | 28 |
0.6-0.7 | 12 |
0.7-0.8 | 1 |
0.8-0.85 | 0 |
0.85-0.9 | 2 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |