Natural Product: NPC197376
Natural Product ID:   | NPC197376 |
Common Name*:   | RWQKHEORZBHNRI-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | RWQKHEORZBHNRI-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26) |
SMILES:   | CC1Cc2c(cc(c(c2C(=O)O1)O)C(=NC(Cc1ccccc1)C(=O)O)O)Cl
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
4580 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0001787] Ochratoxins and related substances
|
*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 |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
Flowers |
Tantempango, Hidalgo, Mexico |
2019-May |
DOI[10.1007/s11130-020-00822-2] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1007/s11418-005-0009-z] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/S0031-9422(01)00320-X] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.3923/pjbs.2013.1138.1144] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10543912] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[11374978] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[11738417] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679317] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16297615] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
roots |
purchased from Kiu Shun Trading Ltd., Vancouver, Canada |
2000 |
PMID[16643021] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[17262437] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17997069] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18326559] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18460139] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[18543151] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[21462031] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Essential oil |
n.a. |
n.a. |
PMID[23163425] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23865201] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24358188] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
bulb |
n.a. |
PMID[24508058] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25538068] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25650289] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25700090] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
garlic skin |
n.a. |
n.a. |
PMID[25726329] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[26259802] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27400088] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32881525] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8350088] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8778246] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Bulb |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26785 |
Taraxacum mongolicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26785 |
Taraxacum mongolicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21845 |
Calvatia fenzlii |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26785 |
Taraxacum mongolicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21845 |
Calvatia fenzlii |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23327 |
Taraxacum coreanum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17030 |
Calvatia lilacina |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2997 |
Aloe africana |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14964 |
Calvatia gigantea |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO26785 |
Taraxacum mongolicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1596 |
Taraxacum borealisinense |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO13668 |
Taraxacum platycarpum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2837 |
Aloe spicata |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13668 |
Taraxacum platycarpum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17030 |
Calvatia lilacina |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21845 |
Calvatia fenzlii |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14763 |
Aloe ferox |
Species |
Asphodelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2997 |
Aloe africana |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26293 |
Ginkgo biloba |
Species |
Ginkgoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26622 |
Taraxacum officinale |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11578 |
Aloe vera |
Species |
Xanthorrhoeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26785 |
Taraxacum mongolicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23327 |
Taraxacum coreanum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
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 NPC197376 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 | 258 |
0.1-0.2 | 1233 |
0.2-0.3 | 4208 |
0.3-0.4 | 12053 |
0.4-0.5 | 6783 |
0.5-0.6 | 12003 |
0.6-0.7 | 5919 |
0.7-0.8 | 238 |
0.8-0.85 | 2 |
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 NPC197376 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 183 |
0.1-0.2 | 654 |
0.2-0.3 | 1106 |
0.3-0.4 | 2199 |
0.4-0.5 | 2829 |
0.5-0.6 | 1796 |
0.6-0.7 | 357 |
0.7-0.8 | 25 |
0.8-0.85 | 1 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |