Natural Product: NPC55586
Natural Product ID:   | NPC55586 |
Common Name*:   | GVCJUCQUVWZELI-DXFRQSKKSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | GVCJUCQUVWZELI-DXFRQSKKSA-N |
Standard InCHI:   | InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1 |
SMILES:   | C/C=C/C#CC#CC#C/C=C/[C@H](CO)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
6442707 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0003909] Fatty Acyls
[CHEMONTID:0001334] Fatty alcohols[CHEMONTID:0002951] Long-chain fatty alcohols
|
*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 |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17156960] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
seeds |
n.a. |
n.a. |
PMID[17998162] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[18177011] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19271742] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[1955885] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20590154] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[20879744] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21574561] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22060189] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[22381047] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22537213] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[22723874] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23371463] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23747095] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Flowers |
Lasa, China |
n.a. |
PMID[24621197] |
NPO29396 |
Bidens bipinnata |
Species |
Asteraceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[25282892] |
NPO11460 |
Sassafras albidum |
Species |
Lauraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[26411017] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26422318] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27419473] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27748595] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[28218000] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29192771] |
NPO22657 |
Centaurea sp. |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[6512542] |
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] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Leaf Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Plant |
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] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Aril |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Bud |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Shoot Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Sprout Seedling |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Flower |
n.a. |
n.a. |
Database[FooDB] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO18765 |
Juniperus scopulorum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12468.1 |
Asarum heterotropoides var. mandshuricum |
Varieties |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15294 |
Magnolia salicifolia |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11460 |
Sassafras albidum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20107 |
Asarum forbesii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29396 |
Bidens bipinnata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO18765 |
Juniperus scopulorum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22657 |
Centaurea sp. |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11460 |
Sassafras albidum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12468.1 |
Asarum heterotropoides var. mandshuricum |
Varieties |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29396 |
Bidens bipinnata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20107 |
Asarum forbesii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15294 |
Magnolia salicifolia |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20107 |
Asarum forbesii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11460 |
Sassafras albidum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15294 |
Magnolia salicifolia |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18765 |
Juniperus scopulorum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
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] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18311 |
Carthamus tinctorius |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15294 |
Magnolia salicifolia |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18765 |
Juniperus scopulorum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20414 |
Ocimum basilicum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6336 |
Asarum sieboldii |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21387 |
Forsythia suspensa |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29396 |
Bidens bipinnata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15294 |
Magnolia salicifolia |
Species |
Magnoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5241 |
Myristica fragrans |
Species |
Myristicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18311 |
Carthamus tinctorius |
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
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 NPC55586 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 | 214 |
0.1-0.2 | 9088 |
0.2-0.3 | 22892 |
0.3-0.4 | 7712 |
0.4-0.5 | 2077 |
0.5-0.6 | 486 |
0.6-0.7 | 149 |
0.7-0.8 | 76 |
0.8-0.85 | 3 |
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 NPC55586 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 232 |
0.1-0.2 | 5541 |
0.2-0.3 | 2851 |
0.3-0.4 | 399 |
0.4-0.5 | 108 |
0.5-0.6 | 17 |
0.6-0.7 | 2 |
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 |