Natural Product: NPC49026
Natural Product ID:   | NPC49026 |
Common Name*:   | GFJIQNADMLPFOW-ILWWEHDPSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | GFJIQNADMLPFOW-ILWWEHDPSA-N |
Standard InCHI:   | InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13?,15-/m1/s1 |
SMILES:   | C=C[C@]1(C)CC[C@H](CC1C(=C)C)C(C)(C)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
6429032 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001550] Sesquiterpenoids[CHEMONTID:0002872] Elemane sesquiterpenoids
|
*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 |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
DOI[10.1021/np100392m] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12350137] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
rhizome |
n.a. |
n.a. |
PMID[12617587] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[14510592] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15388977] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[17202689] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[18177011] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[18787781] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19271742] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19919095] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
stem bark |
n.a. |
n.a. |
PMID[20411974] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20590154] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
pericarp |
n.a. |
PMID[20628994] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[20879743] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21302967] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21807513] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[23153397] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
flower buds and leaves |
Khon Kaen province, Thailand |
2010 |
PMID[23270663] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[23642481] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[23738470] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23738470] |
NPO18068 |
Curcuma phaeocaulis |
Species |
Zingiberaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[23755850] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[23901173] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24175626] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[25275213] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[26462418] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27228227] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28068085] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
Aerial Parts |
n.a. |
n.a. |
PMID[32991171] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3572418] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[8064299] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8064299] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9544564] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9584408] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizome Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Resin, Exudate, Sap |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizome |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Rhizome |
n.a. |
n.a. |
Database[FooDB] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
Rhizome |
n.a. |
n.a. |
Database[FooDB] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12584 |
Atractylodes chinensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO12584 |
Atractylodes chinensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
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] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12584 |
Atractylodes chinensis |
Species |
Asteraceae |
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] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18068 |
Curcuma phaeocaulis |
Species |
Zingiberaceae |
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] |
NPO12584 |
Atractylodes chinensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21355 |
Elsholtzia ciliata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25825 |
Saussurea lappa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18068 |
Curcuma phaeocaulis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3478 |
Nelumbo nucifera |
Species |
Nelumbonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18046 |
Mosla chinensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12584 |
Atractylodes chinensis |
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 ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC49026 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 | 152 |
0.1-0.2 | 2466 |
0.2-0.3 | 15021 |
0.3-0.4 | 12210 |
0.4-0.5 | 7784 |
0.5-0.6 | 3957 |
0.6-0.7 | 931 |
0.7-0.8 | 160 |
0.8-0.85 | 9 |
0.85-0.9 | 6 |
0.9-0.95 | 0 |
0.95-1 | 1 |
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 NPC49026 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 146 |
0.1-0.2 | 2877 |
0.2-0.3 | 4103 |
0.3-0.4 | 1395 |
0.4-0.5 | 412 |
0.5-0.6 | 169 |
0.6-0.7 | 44 |
0.7-0.8 | 4 |
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 |