Natural Product: NPC21266
Natural Product ID:   | NPC21266 |
Common Name*:   | KXSDPILWMGFJMM-SMILAEQMSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | KXSDPILWMGFJMM-SMILAEQMSA-N |
Standard InCHI:   | InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9?,10-/m0/s1 |
SMILES:   | CC(C)[C@]12CCC(C)([C@@H]2C1)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
67159878 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001549] Monoterpenoids[CHEMONTID:0001564] Bicyclic monoterpenoids
|
*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 |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.1016/j.foodchem.2009.03.042] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/S0031-9422(00)94055-X] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
DOI[10.1021/np100392m] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.3136/fstr.15.499] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.3390/70200245] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.5897/AJB10.140] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.5897/AJB2010.000-3252] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.5897/JMPR.9000078] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[12088434] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[12130858] |
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] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
seeds |
n.a. |
n.a. |
PMID[17998162] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[18177011] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19271742] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[1955885] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20506820] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20590154] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[20879743] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[20879744] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21707257] |
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] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[23738470] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
rhizome |
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] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24617303] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
Tongxiang, China |
n.a. |
PMID[24621197] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[25275213] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26099993] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27419473] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28068085] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[28156114] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[28248102] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29400471] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Aerial Parts |
n.a. |
n.a. |
PMID[30726671] |
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] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9584408] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Leaf Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Plant |
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] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
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] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
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 |
Rhizome Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Aril |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Bark |
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 |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19472 |
Thymus vulgaris |
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] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
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] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
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] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
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] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
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] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
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] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17295 |
Chrysanthemum zawadskii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
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] |
NPO18068 |
Curcuma phaeocaulis |
Species |
Zingiberaceae |
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] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22741 |
Curcuma kwangsiensis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18068 |
Curcuma phaeocaulis |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28807 |
Laggera pterodonta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17295 |
Chrysanthemum zawadskii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2618 |
Curcuma wenyujin |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20440 |
Chrysanthemum x morifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22258 |
Chrysanthemum indicum |
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
●  The left chart: Distribution of similarity level between NPC21266 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 | 504 |
0.1-0.2 | 15647 |
0.2-0.3 | 13831 |
0.3-0.4 | 8656 |
0.4-0.5 | 3421 |
0.5-0.6 | 551 |
0.6-0.7 | 69 |
0.7-0.8 | 15 |
0.8-0.85 | 3 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
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 NPC21266 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 873 |
0.1-0.2 | 6044 |
0.2-0.3 | 1574 |
0.3-0.4 | 399 |
0.4-0.5 | 212 |
0.5-0.6 | 46 |
0.6-0.7 | 2 |
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 |