Natural Product: NPC164721
Natural Product ID:   | NPC164721 |
Common Name*:   | IRAQOCYXUMOFCW-CXTNEJHOSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | IRAQOCYXUMOFCW-CXTNEJHOSA-N |
Standard InCHI:   | InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15+/m1/s1 |
SMILES:   | CC1=CC[C@]23C[C@H]1C(C)(C)[C@@H]3CC[C@H]2C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
12302594 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001550] Sesquiterpenoids[CHEMONTID:0003752] Cedrane and isocedrane sesquiterpenoids
|
*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 |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.1002/elan.200403102] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.1016/j.foodchem.2012.02.124] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[10606547] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10606602] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[11077184] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[11374978] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12350137] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
rhizome |
n.a. |
n.a. |
PMID[12617587] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679317] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16562834] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
roots |
purchased from Kiu Shun Trading Ltd., Vancouver, Canada |
2000 |
PMID[16643021] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[17328234] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17689080] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17997069] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[18321056] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[21428416] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[21804227] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
bark |
n.a. |
PMID[21875098] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower bud |
n.a. |
PMID[21942812] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
flower buds |
Henan province, China |
2005-MAY |
PMID[21942812] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22870812] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[23153397] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[23265495] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23435948] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[23872723] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[23901173] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[24155209] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[24279769] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24868863] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24959987] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25089845] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25302569] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25538068] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25737008] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27400088] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28068085] |
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] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32996318] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[9584408] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit Juice |
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizome |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Rhizome Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
Essential Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
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] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
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] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
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] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
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] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
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] |
NPO9546 |
Cinamomum cassia |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
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] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
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] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
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] |
NPO8255 |
Cinnamomum aromaticum |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11100 |
Artemisia capillaris |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24124 |
Curcuma longa |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
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
●  The left chart: Distribution of similarity level between NPC164721 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 | 565 |
0.1-0.2 | 12071 |
0.2-0.3 | 16919 |
0.3-0.4 | 9024 |
0.4-0.5 | 3389 |
0.5-0.6 | 613 |
0.6-0.7 | 89 |
0.7-0.8 | 20 |
0.8-0.85 | 5 |
0.85-0.9 | 1 |
0.9-0.95 | 1 |
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 NPC164721 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 546 |
0.1-0.2 | 5021 |
0.2-0.3 | 2769 |
0.3-0.4 | 593 |
0.4-0.5 | 168 |
0.5-0.6 | 51 |
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 |