Natural Product: NPC43822
Natural Product ID:   | NPC43822 |
Common Name*:   | YSTPAHQEHQSRJD-VIFPVBQESA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | YSTPAHQEHQSRJD-VIFPVBQESA-N |
Standard InCHI:   | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1 |
SMILES:   | CC(C)[C@@H]1CCC(=CC1=O)C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
61362 |
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 |
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] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[12088434] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[15388977] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679319] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15877880] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[17202689] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[17345316] |
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] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[18991207] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
stem bark |
n.a. |
n.a. |
PMID[20411974] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
pericarp |
n.a. |
PMID[20628994] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
essential oil |
Tibet |
n.a. |
PMID[20944522] |
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. |
n.a. |
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. |
root |
n.a. |
PMID[21800857] |
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] |
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] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25737008] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[2831703] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[28541690] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6821187] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Leaf |
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 |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Roots |
n.a. |
|
Database[FooDB] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
Tissue Culture |
n.a. |
n.a. |
Database[FooDB] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19472 |
Thymus vulgaris |
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] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
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] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13857 |
Mentha canadensis |
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] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19472 |
Thymus vulgaris |
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] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
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] |
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] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
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] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
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] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
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] |
NPO11871 |
Illicium difengpi |
Species |
Schisandraceae |
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] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
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] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
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] |
NPO19472 |
Thymus vulgaris |
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] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
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] |
NPO9290 |
Zanthoxylum piperitum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17295 |
Chrysanthemum zawadskii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16614 |
Zanthoxylum spinosum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO163 |
Daucus carota |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28260 |
Senna alexandrina |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12935 |
Thymus quinquecostatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13857 |
Mentha canadensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8698 |
Zanthoxylum schinifolium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23256 |
Mentha arvensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5315 |
Zanthoxylum bungeanum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19472 |
Thymus vulgaris |
Species |
Lamiaceae |
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 |
NPO23256 |
NPC43822 |
Other |
Leaf |
19 |
9 |
29 |
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 ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC43822 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 | 223 |
0.1-0.2 | 3563 |
0.2-0.3 | 17543 |
0.3-0.4 | 12397 |
0.4-0.5 | 6109 |
0.5-0.6 | 2233 |
0.6-0.7 | 496 |
0.7-0.8 | 89 |
0.8-0.85 | 31 |
0.85-0.9 | 7 |
0.9-0.95 | 4 |
0.95-1 | 2 |
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 NPC43822 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 228 |
0.1-0.2 | 3306 |
0.2-0.3 | 4049 |
0.3-0.4 | 1115 |
0.4-0.5 | 320 |
0.5-0.6 | 110 |
0.6-0.7 | 20 |
0.7-0.8 | 1 |
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 |