Natural Product: NPC14917
Natural Product ID:   | NPC14917 |
Common Name*:   | 5-Methyl-2-Propan-2-Ylidenecyclohexan-1-One |
IUPAC Name:   | 5-methyl-2-propan-2-ylidenecyclohexan-1-one |
Synonyms:   | |
Standard InCHIKey:   | NZGWDASTMWDZIW-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3 |
SMILES:   | CC1CCC(=C(C)C)C(=O)C1
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL1898498 |
PubChem CID:   |
6988 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001549] Monoterpenoids[CHEMONTID:0001401] Menthane 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 |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1002/hlca.19270100148] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
DOI[10.1016/0045-6535(91)90110-Y] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2004.07.004] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/j.jfca.2005.08.001] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
retail stores, supermarkets and market stalls in Forssa and in the Helsinki area |
2003–2005 |
DOI[10.1016/j.jfca.2006.05.007] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/S0031-9422(00)94055-X] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.3390/70200245] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
1996-Sep |
PMID[10352947] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11908994] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[12088434] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12776552] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
Petals |
n.a. |
n.a. |
PMID[15043425] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
Brazilian |
n.a. |
PMID[15387656] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15877880] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
ripe fruit |
n.a. |
PMID[16205005] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[17345316] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[1823989] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18460139] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
Northeastern Regional Plant Introduction Station at Geneva |
1966, 1967, and 1968 crop seasons |
PMID[18460139] |
NPO15890 |
Cimicifuga foetida |
Species |
Ranunculaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[20121210] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[21428416] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21707257] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[21800857] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
exocarp |
n.a. |
PMID[21800857] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21800857] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21875098] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[22272932] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22870812] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23435948] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24338885] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24617303] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24868863] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25089845] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25320841] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25737008] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26521454] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[2831703] |
NPO15373 |
Actaea dahurica |
Species |
Ranunculaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[28558206] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[28682072] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[29883114] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31747281] |
NPO15373 |
Actaea dahurica |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32031796] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[33253570] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
Seeds |
n.a. |
n.a. |
PMID[3701342] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6821187] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8594148] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Roots |
n.a. |
|
Database[FooDB] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO26637 |
Mentha aquatica |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
Silk Stigma Style |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Tissue Culture |
n.a. |
n.a. |
Database[FooDB] |
NPO26637 |
Mentha aquatica |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO26637 |
Mentha aquatica |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8789 |
Schizonepeta tenuifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30555 |
Mentha rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19048 |
Pinellia ternata |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29812 |
Panax quinquefolium |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11474 |
Ligusticum jeholense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2727 |
Actaea simplex |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15890 |
Cimicifuga foetida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO389 |
Actaea heracleifolia |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15373 |
Actaea dahurica |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18932.1 |
Melia azedarach var. toosendan |
Varieties |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11474 |
Ligusticum jeholense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19048 |
Pinellia ternata |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8789 |
Schizonepeta tenuifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
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] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29812 |
Panax quinquefolium |
Species |
Araliaceae |
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] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO30555 |
Mentha rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19048 |
Pinellia ternata |
Species |
Araceae |
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] |
NPO11474 |
Ligusticum jeholense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8789 |
Schizonepeta tenuifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15890 |
Cimicifuga foetida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
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] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9546 |
Cinamomum cassia |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8789 |
Schizonepeta tenuifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO389 |
Actaea heracleifolia |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11474 |
Ligusticum jeholense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15373 |
Actaea dahurica |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2154 |
Ligusticum tenuissimum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2727 |
Actaea simplex |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1880 |
Schizonepeta tenuisfolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO19048 |
Pinellia ternata |
Species |
Araceae |
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] |
NPO18932.1 |
Melia azedarach var. toosendan |
Varieties |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
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] |
NPO26351 |
Agastache rugosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17752 |
Mentha X piperita |
Strain |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18932.1 |
Melia azedarach var. toosendan |
Varieties |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14579 |
Mentha spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19048 |
Pinellia ternata |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9445 |
Crocus sativus |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15373 |
Actaea dahurica |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26637 |
Mentha aquatica |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8789 |
Schizonepeta tenuifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18932 |
Melia azedarach |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11474 |
Ligusticum jeholense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8650 |
Perilla frutescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2727 |
Actaea simplex |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15890 |
Cimicifuga foetida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO389 |
Actaea heracleifolia |
Species |
Ranunculaceae |
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 |
NPO14579 |
NPC14917 |
Other |
Leaf |
23.8 |
0.1 |
47.5 |
mg/100g |
Database [DUKE] |
NPO17752 |
NPC14917 |
Other |
Leaf |
326.65 |
0.3 |
653 |
mg/100g |
Database [DUKE] |
NPO26637 |
NPC14917 |
Raw |
Leaf |
10.35 |
5.4 |
15.3 |
mg/100g |
Database [DUKE] |
NPO23256 |
NPC14917 |
Other |
Plant |
1253 |
10 |
2496 |
mg/100g |
Database [DUKE] |
NPO14579 |
NPC14917 |
Other |
Shoot |
1330 |
0 |
2660 |
mg/100g |
Database [DUKE] |
NPO26637 |
NPC14917 |
Raw |
Shoot |
0.01 |
0.01 |
0.01 |
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
Activity Type |
# Activity |
Potency |
2 |
Activity Type |
# Activity |
Individual Protein |
2 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT106 |
Individual Protein |
Peroxisome proliferator-activated receptor delta |
Homo sapiens |
Potency |
n.a. |
50118.7 |
nM |
PMID[465626] |
NPT540 |
Individual Protein |
Bile acid receptor FXR |
Homo sapiens |
Potency |
n.a. |
39810.7 |
nM |
PMID[465626] |
☑ 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 NPC14917 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 | 177 |
0.1-0.2 | 4742 |
0.2-0.3 | 19704 |
0.3-0.4 | 11226 |
0.4-0.5 | 5314 |
0.5-0.6 | 1277 |
0.6-0.7 | 208 |
0.7-0.8 | 37 |
0.8-0.85 | 9 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 3 |
  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 NPC14917 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 187 |
0.1-0.2 | 3737 |
0.2-0.3 | 4017 |
0.3-0.4 | 855 |
0.4-0.5 | 287 |
0.5-0.6 | 56 |
0.6-0.7 | 11 |
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 |
0.7321 |
Intermediate Similarity |
NPD287 |
Approved |
0.6885 |
Remote Similarity |
NPD7341 |
Phase 2 |
0.6786 |
Remote Similarity |
NPD4627 |
Clinical (unspecified phase) |
0.6719 |
Remote Similarity |
NPD4137 |
Phase 3 |
0.6615 |
Remote Similarity |
NPD4747 |
Approved |
0.6615 |
Remote Similarity |
NPD4691 |
Approved |
0.6515 |
Remote Similarity |
NPD5276 |
Approved |
0.6508 |
Remote Similarity |
NPD7331 |
Phase 2 |
0.6458 |
Remote Similarity |
NPD5783 |
Phase 3 |
0.6324 |
Remote Similarity |
NPD5733 |
Approved |
0.6324 |
Remote Similarity |
NPD4058 |
Approved |
0.6324 |
Remote Similarity |
NPD4687 |
Approved |
0.6308 |
Remote Similarity |
NPD3621 |
Clinical (unspecified phase) |
0.6042 |
Remote Similarity |
NPD319 |
Phase 1 |
0.6032 |
Remote Similarity |
NPD2664 |
Clinical (unspecified phase) |
0.5972 |
Remote Similarity |
NPD3617 |
Approved |
0.5811 |
Remote Similarity |
NPD4695 |
Discontinued |
0.5758 |
Remote Similarity |
NPD3704 |
Approved |
0.5758 |
Remote Similarity |
NPD6108 |
Clinical (unspecified phase) |
0.5733 |
Remote Similarity |
NPD8028 |
Phase 2 |
0.5658 |
Remote Similarity |
NPD4221 |
Approved |
0.5658
|
Remote Similarity |
NPD4223 |
Phase 3 |