Natural Product: NPC168351
Natural Product ID:   | NPC168351 |
Common Name*:   | CCEFMUBVSUDRLG-IDKOKCKLSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | CCEFMUBVSUDRLG-IDKOKCKLSA-N |
Standard InCHI:   | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1 |
SMILES:   | C=C(C)[C@H]1CCC2(C)C(C1)O2
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
10953718 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000002] Organoheterocyclic compounds
-
[CHEMONTID:0001729] Oxepanes
|
*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 |
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] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[11374978] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[12932131] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679317] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679319] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
roots |
purchased from Kiu Shun Trading Ltd., Vancouver, Canada |
2000 |
PMID[16643021] |
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] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[18177011] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[18991207] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19271742] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20460582] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20590154] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
essential oil |
Tibet |
n.a. |
PMID[20944522] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[23872723] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[25172746] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25538068] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27400088] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
Twigs |
n.a. |
n.a. |
PMID[28541690] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32996318] |
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] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8910532] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Tissue Culture |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Fruit Juice |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Pericarp |
n.a. |
n.a. |
Database[FooDB] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Resin, Exudate, Sap |
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] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
Root Bark |
n.a. |
n.a. |
Database[FooDB] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
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] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
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] |
NPO7317 |
Citrus aurantium |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
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] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
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] |
NPO19787 |
Citrus sinensis |
Species |
Rutaceae |
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] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11169 |
Piper cubeba |
Species |
Piperaceae |
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] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
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] |
NPO20553 |
Zingiber officinale |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29110 |
Litsea cubeba |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5270 |
Citrus natsudaidai |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7698 |
Elettaria cardamomum |
Species |
Zingiberaceae |
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] |
NPO21771 |
Citrus trifoliata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16501 |
Capsicum annuum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19787 |
Citrus sinensis |
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] |
☑ 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 NPC168351 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 | 229 |
0.1-0.2 | 3396 |
0.2-0.3 | 15246 |
0.3-0.4 | 12689 |
0.4-0.5 | 8436 |
0.5-0.6 | 2470 |
0.6-0.7 | 213 |
0.7-0.8 | 16 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
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 NPC168351 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 221 |
0.1-0.2 | 3623 |
0.2-0.3 | 3753 |
0.3-0.4 | 1183 |
0.4-0.5 | 304 |
0.5-0.6 | 61 |
0.6-0.7 | 3 |
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 |