Natural Product: NPC61321
Natural Product ID:   | NPC61321 |
Common Name*:   | Anagyrine |
IUPAC Name:   | n.a. |
Synonyms:   | Anagyrine |
Standard InCHIKey:   | FQEQMASDZFXSJI-JHJVBQTASA-N |
Standard InCHI:   | InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/p+1/t11-,12-,13-/m1/s1 |
SMILES:   | C1CC[NH+]2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@H]2C1
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL509692 |
PubChem CID:   |
5351589 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000279] Alkaloids and derivatives
-
[CHEMONTID:0002719] Lupin alkaloids
[CHEMONTID:0002723] Anagyrine-type alkaloids
|
*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 |
NPO32603 |
blue cohosh |
Species |
n.a. |
n.a. |
rhizomes |
n.a. |
n.a. |
PMID[10543898] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10654410] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[10843587] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11054840] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
twigs |
n.a. |
n.a. |
PMID[1453182] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[15165152] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15165152] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[15568770] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15911254] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16392664] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
roots |
Hualien Hsien, Taiwan |
2003-JUL |
PMID[16933887] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17951038] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18175961] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18348535] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[18975262] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19407970] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21553897] |
NPO791 |
Laburnum anagyroides |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23022271] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24295087] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24333010] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24459770] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27575476] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30298740] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[9868163] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
root |
n.a. |
Database[Article] |
NPO1468 |
Crassostrea virginica |
Species |
Ostreidae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26916 |
Thermopsis alpina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1817 |
Anagyris foetida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16775 |
Thermopsis lanceolata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO791 |
Laburnum anagyroides |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO27572 |
Sophora subprostrata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26916 |
Thermopsis alpina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO27572 |
Sophora subprostrata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1817 |
Anagyris foetida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8732 |
Thermopsis fabacea |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO791 |
Laburnum anagyroides |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16775 |
Thermopsis lanceolata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26916 |
Thermopsis alpina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO791 |
Laburnum anagyroides |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16775 |
Thermopsis lanceolata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO27572 |
Sophora subprostrata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21038 |
Lemaireocereus longispinus |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20142 |
Embelia schimperi |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17258 |
Rhinella marina |
Species |
Bufonidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5390 |
Lupinus pusillus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20084 |
Atraphaxis spinosa |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28202 |
Helichrysum tenuifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20421 |
Aplophyllum alberti-regelii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16569 |
Gymnocalycium schickendantzii |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19667 |
Hypericum styphelioides |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6679 |
Tephrosia watsoniana |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27572 |
Sophora subprostrata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21375 |
Euphorbia nematocypha |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20489 |
Epilobium hirsutum |
Species |
Onagraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18143 |
Dendronephthya griffini |
Species |
Nephtheidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19231 |
Sophora flavescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20624 |
Simarouba glauca |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17849 |
Centaurea maculosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18668 |
Asimina parviflora |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19995 |
Baccharis neglecta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20680 |
Erythrina melanacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4051 |
Tricholoma columbetta |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27367 |
Latrunculia magnifica |
Species |
Latrunculiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11523 |
Erysimum leptophyllum |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26916 |
Thermopsis alpina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12313 |
Haplophyllum obtusifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22961 |
Cordia leucocephala |
Species |
Cordiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28072 |
Theonella conica |
Species |
Theonellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO791 |
Laburnum anagyroides |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1468 |
Crassostrea virginica |
Species |
Ostreidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19912 |
Vellozia nanuzae |
Species |
Velloziaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21562 |
Diospyros assimilis |
Species |
Ebenaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6060 |
Amaranthus spinosus |
Species |
Amaranthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21243 |
Siphonaria capensis |
Species |
Siphonariidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18286 |
Lycogala epidendrum |
Species |
Enteridiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22937 |
Vernonia fagifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2419 |
Macrocentrus cingulum |
Species |
Braconidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21108 |
Eria anomala |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9968 |
Shigella dysenteriae |
Species |
Enterobacteriaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20598 |
Lythrum salicaria |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16141 |
Piper regnellii |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1077 |
Piper dilatatum |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21495 |
Abelia chinensis |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13449 |
Syzygium polycephaloides |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17560 |
Pancratium sickenbergeri |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17334 |
Onopordum acanthium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14241 |
Planchonia grandis |
Species |
Asterolecaniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19810 |
Myxococcus stipitatus |
Species |
Myxococcaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19511 |
Dolabella californica |
Species |
Aplysiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18176 |
Ephedra sinica |
Species |
Ephedraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18866 |
Pteridium esculentum |
Species |
Dennstaedtiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18473 |
Plathymenia reticulata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16775 |
Thermopsis lanceolata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5903 |
Conus mus |
Species |
Conidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8732 |
Thermopsis fabacea |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21631 |
Faramea salicifolia |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20843 |
Monsonia senegalensis |
Species |
Geraniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3152 |
Morella rubra |
Species |
Myricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2610 |
Chionodoxa gigantea |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21170 |
Embelia parviflora |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19036 |
Esenbeckia leiocarpa |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20879 |
Clerodendrum bungei |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12056 |
Chondrodendron tomentosum |
Species |
Menispermaceae |
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
Activity Type |
# Activity |
IC50 |
4 |
Others |
4 |
Activity Type |
# Activity |
Others |
8 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
2096000.0 |
nM |
PMID[534522] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
132000.0 |
nM |
PMID[534522] |
NPT2 |
Others |
Unspecified |
|
Activity |
= |
28.2 |
% |
PMID[534523] |
NPT2 |
Others |
Unspecified |
|
Activity |
= |
26.5 |
% |
PMID[534523] |
NPT2 |
Others |
Unspecified |
|
Activity |
= |
15.5 |
% |
PMID[534523] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
132000.0 |
nM |
PMID[534523] |
NPT2 |
Others |
Unspecified |
|
IC50 |
= |
2096000.0 |
nM |
PMID[534523] |
☑ 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 NPC61321 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 | 521 |
0.1-0.2 | 4044 |
0.2-0.3 | 15480 |
0.3-0.4 | 15830 |
0.4-0.5 | 3199 |
0.5-0.6 | 2571 |
0.6-0.7 | 941 |
0.7-0.8 | 97 |
0.8-0.85 | 0 |
0.85-0.9 | 1 |
0.9-0.95 | 6 |
0.95-1 | 7 |
  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 NPC61321 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 278 |
0.1-0.2 | 574 |
0.2-0.3 | 1074 |
0.3-0.4 | 1919 |
0.4-0.5 | 2540 |
0.5-0.6 | 2048 |
0.6-0.7 | 645 |
0.7-0.8 | 69 |
0.8-0.85 | 2 |
0.85-0.9 | 0 |
0.9-0.95 | 1 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |
0.8193 |
Intermediate Similarity |
NPD529 |
Approved |
0.6744 |
Remote Similarity |
NPD816 |
Approved |
0.6744 |
Remote Similarity |
NPD815 |
Approved |
0.6422 |
Remote Similarity |
NPD4063 |
Clinical (unspecified phase) |
0.5902 |
Remote Similarity |
NPD3549 |
Approved |
0.5902 |
Remote Similarity |
NPD3550 |
Clinical (unspecified phase) |
0.5902 |
Remote Similarity |
NPD3547 |
Approved |
0.575 |
Remote Similarity |
NPD1821 |
Approved |
0.575 |
Remote Similarity |
NPD1823 |
Approved |
0.575 |
Remote Similarity |
NPD1822 |
Approved |
0.5641 |
Remote Similarity |
NPD5180 |
Approved |
0.5641 |
Remote Similarity |
NPD5179 |
Approved |
0.5641
|
Remote Similarity |
NPD5181 |
Approved |