Natural Product: NPC287397
Natural Product ID:   | NPC287397 |
Common Name*:   | (E)-2-Undecenal |
IUPAC Name:   | (E)-undec-2-enal |
Synonyms:   | (E)-2-Undecenal |
Standard InCHIKey:   | PANBRUWVURLWGY-MDZDMXLPSA-N |
Standard InCHI:   | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ |
SMILES:   | CCCCCCCC/C=C/C=O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
CHEMBL451328 |
PubChem CID:   |
5283356 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0001831] Carbonyl compounds[CHEMONTID:0000124] Aldehydes[CHEMONTID:0002229] Medium-chain aldehydes
|
*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 |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
DOI[10.1248/cpb.24.1532] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17432574] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[18787781] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19299148] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21302967] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22224661] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22799262] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23290052] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[25340465] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25340465] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25577087] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
stem barks |
n.a. |
n.a. |
PMID[25666824] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[27019553] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27228227] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
kernel |
n.a. |
PMID[7092570] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9544564] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO27018 |
Cynomorium songaricum |
Species |
Cynomoriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO30214 |
Pericarpium citri |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28470 |
Fructus tsaoko |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO310 |
Flos mume |
Species |
Lycaenidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15730.2 |
Citrus medica var. sarcodactylis |
Varieties |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO420 |
Eucheuma muricatum |
Species |
Solieriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO19584 |
Pericarpium citri reticulatae |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15730.2 |
Citrus medica var. sarcodactylis |
Varieties |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO27018 |
Cynomorium songaricum |
Species |
Cynomoriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO310 |
Flos mume |
Species |
Lycaenidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28470 |
Fructus tsaoko |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20930 |
Patrinia scabiosifolia |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO420 |
Eucheuma muricatum |
Species |
Solieriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO27018 |
Cynomorium songaricum |
Species |
Cynomoriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15730.2 |
Citrus medica var. sarcodactylis |
Varieties |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20930 |
Patrinia scabiosifolia |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO27018 |
Cynomorium songaricum |
Species |
Cynomoriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2943 |
Sraitia grosvenorii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20902 |
Atractylodes macrocephala |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9090 |
Patrinia villosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2345 |
Coriandrum sativum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5386 |
Citrus paradisi |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15443 |
Ailanthus altissima |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO420 |
Eucheuma muricatum |
Species |
Solieriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14992 |
Prunus persica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16087 |
Atractylodes lancea |
Species |
Asteraceae |
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 |
EC50 |
2 |
MIC |
14 |
Others |
1 |
Activity Type |
# Activity |
Organism |
17 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT79 |
Organism |
Bacillus subtilis |
Bacillus subtilis |
MIC |
= |
25.0 |
ug.mL-1 |
PMID[516881] |
NPT2539 |
Organism |
Corynebacterium ammoniagenes |
Corynebacterium ammoniagenes |
MIC |
= |
25.0 |
ug.mL-1 |
PMID[516881] |
NPT16 |
Organism |
Staphylococcus aureus |
Staphylococcus aureus |
MIC |
= |
12.5 |
ug.mL-1 |
PMID[516881] |
NPT878 |
Organism |
Streptococcus mutans |
Streptococcus mutans |
MIC |
= |
50.0 |
ug.mL-1 |
PMID[516881] |
NPT167 |
Organism |
Propionibacterium acnes |
Propionibacterium acnes |
MIC |
= |
6.25 |
ug.mL-1 |
PMID[516881] |
NPT19 |
Organism |
Escherichia coli |
Escherichia coli |
MIC |
> |
800.0 |
ug.mL-1 |
PMID[516881] |
NPT18 |
Organism |
Pseudomonas aeruginosa |
Pseudomonas aeruginosa |
MIC |
> |
800.0 |
ug.mL-1 |
PMID[516881] |
NPT720 |
Organism |
Enterobacter aerogenes |
Enterobacter aerogenes |
MIC |
> |
800.0 |
ug.mL-1 |
PMID[516881] |
NPT312 |
Organism |
Saccharomyces cerevisiae |
Saccharomyces cerevisiae |
MIC |
= |
25.0 |
ug.mL-1 |
PMID[516881] |
NPT767 |
Organism |
Pichia jadinii |
Cyberlindnera jadinii |
MIC |
= |
12.5 |
ug.mL-1 |
PMID[516881] |
NPT766 |
Organism |
Proteus vulgaris |
Proteus vulgaris |
MIC |
= |
12.5 |
ug.mL-1 |
PMID[516881] |
NPT2605 |
Organism |
Malassezia |
Malassezia |
MIC |
= |
25.0 |
ug.mL-1 |
PMID[516881] |
NPT2242 |
Organism |
Penicillium chrysogenum |
Penicillium chrysogenum |
MIC |
= |
6.25 |
ug.mL-1 |
PMID[516881] |
NPT330 |
Organism |
Trichophyton mentagrophytes |
Trichophyton mentagrophytes |
MIC |
= |
1.56 |
ug.mL-1 |
PMID[516881] |
NPT593 |
Organism |
Bursaphelenchus xylophilus |
Bursaphelenchus xylophilus |
mortality |
= |
24.8 |
% |
PMID[516882] |
NPT449 |
Organism |
Meloidogyne javanica |
Meloidogyne javanica |
EC50 |
> |
25.0 |
ug.mL-1 |
PMID[516883] |
☑ 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 NPC287397 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 | 213 |
0.1-0.2 | 10817 |
0.2-0.3 | 21162 |
0.3-0.4 | 7662 |
0.4-0.5 | 2000 |
0.5-0.6 | 701 |
0.6-0.7 | 96 |
0.7-0.8 | 31 |
0.8-0.85 | 5 |
0.85-0.9 | 5 |
0.9-0.95 | 1 |
0.95-1 | 4 |
  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 NPC287397 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 195 |
0.1-0.2 | 5379 |
0.2-0.3 | 3031 |
0.3-0.4 | 456 |
0.4-0.5 | 58 |
0.5-0.6 | 31 |
0.6-0.7 | 0 |
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 |
0.6 |
Remote Similarity |
NPD6097 |
Approved |
0.6 |
Remote Similarity |
NPD6096 |
Approved |
0.5962 |
Remote Similarity |
NPD5343 |
Approved |
0.5957 |
Remote Similarity |
NPD5783 |
Phase 3 |
0.5926 |
Remote Similarity |
NPD28 |
Approved |
0.5926 |
Remote Similarity |
NPD29 |
Approved |
0.5882 |
Remote Similarity |
NPD3174 |
Discontinued |
0.5882 |
Remote Similarity |
NPD39 |
Approved |
0.5849 |
Remote Similarity |
NPD4220 |
Pre-registration |
0.5714 |
Remote Similarity |
NPD3172 |
Approved |
0.5625 |
Remote Similarity |
NPD6108 |
Clinical (unspecified phase) |
0.5614 |
Remote Similarity |
NPD3195 |
Phase 2 |
0.5614 |
Remote Similarity |
NPD4266 |
Approved |
0.5614 |
Remote Similarity |
NPD3194 |
Approved |
0.5614 |
Remote Similarity |
NPD3196 |
Approved |
0.56 |
Remote Similarity |
NPD9297 |
Discontinued |
0.56
|
Remote Similarity |
NPD9091 |
Suspended |