Natural Product: NPC251860
Natural Product ID:   | NPC251860 |
Common Name*:   | DIOYAVUHUXAUPX-ZHACJKMWSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | DIOYAVUHUXAUPX-ZHACJKMWSA-N |
Standard InCHI:   | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10+ |
SMILES:   | CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
5879967 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000264] Organic acids and derivatives
-
[CHEMONTID:0000265] Carboxylic acids and derivatives
[CHEMONTID:0000013] Amino acids, peptides, and analogues[CHEMONTID:0000347] Amino acids and derivatives[CHEMONTID:0000060] Alpha amino acids and derivatives[CHEMONTID:0001189] N-acyl-alpha amino acids and derivatives[CHEMONTID:0002402] N-acyl-alpha amino acids
|
*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 |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1007/s11418-005-0009-z] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.3923/pjbs.2013.1138.1144] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[11374978] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[12575075] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[12575075] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[15577255] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679317] |
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] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20476749] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[21936523] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[21936523] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[22951040] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Essential oil |
n.a. |
n.a. |
PMID[23163425] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[23713285] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23865201] |
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] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[26296476] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26305406] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27400088] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[29116780] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30188125] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8350088] |
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] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Bulb |
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 |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Shoot |
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 |
|
n.a. |
n.a. |
Database[FooDB] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
Plant |
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] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29401 |
Bupleurum chinense |
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] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15462 |
Angelica sinensis |
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] |
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] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO21845 |
Calvatia fenzlii |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
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] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
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] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
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] |
NPO3107 |
Bupleurum falcatum |
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] |
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] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
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] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
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] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
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] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
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] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
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] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
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] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
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] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29401 |
Bupleurum chinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7103 |
Allium sativum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17030 |
Calvatia lilacina |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29007 |
Brassica juncea |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3107 |
Bupleurum falcatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21845 |
Calvatia fenzlii |
Species |
Lycoperdaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1484 |
Bupleurum scorzonerifolium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29463 |
Pogostemon cablin |
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 |
☑ 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 NPC251860 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 | 55 |
0.1-0.2 | 4944 |
0.2-0.3 | 23825 |
0.3-0.4 | 10853 |
0.4-0.5 | 2583 |
0.5-0.6 | 377 |
0.6-0.7 | 57 |
0.7-0.8 | 3 |
0.8-0.85 | 0 |
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 NPC251860 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 59 |
0.1-0.2 | 1254 |
0.2-0.3 | 4911 |
0.3-0.4 | 2270 |
0.4-0.5 | 603 |
0.5-0.6 | 47 |
0.6-0.7 | 5 |
0.7-0.8 | 1 |
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 |