Natural Product: NPC3824
Natural Product ID:   | NPC3824 |
Common Name*:   | XNGKCOFXDHYSGR-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | XNGKCOFXDHYSGR-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3 |
SMILES:   | CC(=CCCc1ccoc1)C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
68316 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000002] Organoheterocyclic compounds
-
[CHEMONTID:0004144] Heteroaromatic compounds
|
*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 |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/S0031-9422(00)94055-X] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0040-4039(01)90945-1] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.3390/70200245] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[12932131] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15388977] |
NPO13968 |
Garcinia scortechinii |
Species |
Clusiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[16038540] |
NPO14358 |
Rhodobacter sphaeroides |
Species |
Rhodobacteraceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[1612412] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16249088] |
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] |
NPO8068 |
Blumea mollis |
Species |
Asteraceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[18566831] |
NPO14162 |
Chlorophytum borivilianum |
Species |
Asparagaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[19128156] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19271742] |
NPO7016 |
Gardenia tubifera |
Species |
Rubiaceae |
Eukaryota |
exudate |
n.a. |
n.a. |
PMID[20028108] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20460582] |
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] |
NPO12357 |
Lycopus europaeus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20674349] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[20973550] |
NPO11492 |
Kopsia grandifolia |
Species |
Apocynaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[21428274] |
NPO11492 |
Kopsia grandifolia |
Species |
Apocynaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[21428274] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[22272932] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24175626] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24617303] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24704449] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[25172746] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25320841] |
NPO1795 |
Fragaria vesca |
Species |
Rosaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[26169681] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26967731] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29099182] |
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] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8910532] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Resin, Exudate, Sap |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Resin, Exudate, Sap |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Rhizome |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
Shoot Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Tissue Culture |
n.a. |
n.a. |
Database[FooDB] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13014 |
Ipomoea cairica |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12357 |
Lycopus europaeus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1795 |
Fragaria vesca |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7255 |
Pterocarpus indicus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7255 |
Pterocarpus indicus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4004 |
Aquilegia ecalcarata |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13968 |
Garcinia scortechinii |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12357 |
Lycopus europaeus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3465 |
Aconitum leucostomum |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16703 |
Isodon lophanthoides |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13014 |
Ipomoea cairica |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1795 |
Fragaria vesca |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29169 |
Origanum vulgare |
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] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
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] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO13014 |
Ipomoea cairica |
Species |
Convolvulaceae |
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] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
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] |
NPO3465 |
Aconitum leucostomum |
Species |
Ranunculaceae |
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] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
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] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
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] |
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] |
NPO11998 |
Ledebouria socialis |
Species |
Hyacinthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13968 |
Garcinia scortechinii |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO746 |
Panax innovans |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13766 |
Ceanothus velutinus |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12357 |
Lycopus europaeus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8068 |
Blumea mollis |
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] |
NPO7255 |
Pterocarpus indicus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5191 |
Penicillium cinerascens |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10550 |
Artemisia hanseniana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4004 |
Aquilegia ecalcarata |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3465 |
Aconitum leucostomum |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1795 |
Fragaria vesca |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13467 |
Anarsia lineatella |
Species |
Gelechiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4671 |
Persea mexicana |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14162 |
Chlorophytum borivilianum |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12509 |
Dipterocarpus dyeri |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22796 |
Cyperus rotundus |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29169 |
Origanum vulgare |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14057 |
Apollonias barbujana |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11492 |
Kopsia grandifolia |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16703 |
Isodon lophanthoides |
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] |
NPO8892 |
Sordaria araneosa |
Species |
Sordariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13014 |
Ipomoea cairica |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14358 |
Rhodobacter sphaeroides |
Species |
Rhodobacteraceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7016 |
Gardenia tubifera |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO205 |
Lasianthus fordii |
Species |
Rubiaceae |
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 |
NPO29169 |
NPC3824 |
Other |
Plant |
0.02 |
0.02 |
0.02 |
mg/100g |
Database [DUKE] |
NPO20553 |
NPC3824 |
Raw |
Rhizome |
4.8 |
0.1 |
9.5 |
mg/100g |
Database [DUKE] |
☑ 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 NPC3824 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 | 344 |
0.1-0.2 | 3162 |
0.2-0.3 | 8649 |
0.3-0.4 | 11689 |
0.4-0.5 | 8328 |
0.5-0.6 | 9065 |
0.6-0.7 | 1229 |
0.7-0.8 | 189 |
0.8-0.85 | 32 |
0.85-0.9 | 7 |
0.9-0.95 | 3 |
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 NPC3824 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 322 |
0.1-0.2 | 1284 |
0.2-0.3 | 2447 |
0.3-0.4 | 2917 |
0.4-0.5 | 1558 |
0.5-0.6 | 558 |
0.6-0.7 | 62 |
0.7-0.8 | 2 |
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 |