Natural Product: NPC128726
Natural Product ID:   | NPC128726 |
Common Name*:   | AYEOSGBMQHXVER-OKJYPTKPSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | AYEOSGBMQHXVER-OKJYPTKPSA-N |
Standard InCHI:   | InChI=1S/C10H18O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8+,10+/m0/s1 |
SMILES:   | CC1(C)[C@H]2CC[C@]1(C)[C@@H]([C@@H]2O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
21626089 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001549] Monoterpenoids[CHEMONTID:0001564] Bicyclic monoterpenoids
|
*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 |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)88710-5] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10096857] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[10606547] |
NPO25415 |
Pseudopterogorgia kallos |
Species |
Gorgoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15128261] |
NPO24744 |
Chloranthus tianmushanensis |
Species |
Chloranthaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[18357995] |
NPO24475 |
Aceriphyllum rossii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[19618898] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23186307] |
NPO23805 |
Arnica nevadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23501116] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23507152] |
NPO22194 |
Kaempferia pulchra |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25919052] |
NPO22194 |
Kaempferia pulchra |
Species |
Zingiberaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[31836445] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Stem |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
Leaf Essent. Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25359 |
Isodon kameba |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22736 |
Drosera peltata |
Species |
Droseraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6714 |
Securidaca inappendiculata |
Species |
Polygalaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25045 |
Senecio squalidus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25258 |
Seriphidium cinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25623 |
Taxodium mucronatum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22736 |
Drosera peltata |
Species |
Droseraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25623 |
Taxodium mucronatum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25359 |
Isodon kameba |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6714 |
Securidaca inappendiculata |
Species |
Polygalaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25045 |
Senecio squalidus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25258 |
Seriphidium cinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25258 |
Seriphidium cinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO24068 |
Prunus laurocerasus |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25699 |
Vitex madiensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25471 |
Chromolaena pulchella |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23963 |
Odixia angusta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6098 |
Salvia officinalis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26042 |
Agnorhiza bolanderi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1794 |
Ilex affinis |
Species |
Aquifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23805 |
Arnica nevadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25623 |
Taxodium mucronatum |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25258 |
Seriphidium cinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25045 |
Senecio squalidus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22736 |
Drosera peltata |
Species |
Droseraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24599 |
Streptomyces althioticus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24218 |
Fusarium gibbosum |
Species |
Nectriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25390 |
Pterocarpus grandiflorus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24291 |
Rhizobium phaseoli |
Species |
Rhizobiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24987 |
Simira eliezeriana |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25090 |
Araujia sericifera |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24475 |
Aceriphyllum rossii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24640 |
Echinops amplexicaulis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25415 |
Pseudopterogorgia kallos |
Species |
Gorgoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24511 |
Dipterocarpus alatus |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20833 |
Beyeria brevifolia |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24830 |
Prosopis glandulosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20823 |
Stenostomum lucidum |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23453 |
Pheidole pallidula |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25359 |
Isodon kameba |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24383 |
Ficus formosana |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25144 |
Artemisia monogyna |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25529 |
Bursaria spinosa |
Species |
Pittosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23567 |
Coccus fagi |
Species |
Coccidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24556 |
Bassia butyracea |
Species |
Abylidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6714 |
Securidaca inappendiculata |
Species |
Polygalaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7552 |
Alligator mississippiensis |
Species |
Alligatoridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25326 |
Dendrosenecio kilimanjari |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15117 |
Chromolaena odorata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22194 |
Kaempferia pulchra |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25187 |
Cladonia evansii |
Species |
Cladoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25291 |
Lactarius scrobiculatus |
Species |
Russulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23691 |
Pyrosoma giganteum |
Species |
Pyrosomatidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25234 |
Epaltes gariepina |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24744 |
Chloranthus tianmushanensis |
Species |
Chloranthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28665 |
Sesbania punicea |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7445 |
Pteris prolifera |
Species |
Pteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18352 |
Anaxagorea clavata |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26128 |
Clonostachys rosea |
Species |
Bionectriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25443 |
Citrus reticulata |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24675 |
Quercus aegilops |
Species |
Fagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24929 |
Aria pallescens |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25671 |
Gardenia fosbergii |
Species |
Rubiaceae |
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 NPC128726 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 | 485 |
0.1-0.2 | 7060 |
0.2-0.3 | 18335 |
0.3-0.4 | 8652 |
0.4-0.5 | 6158 |
0.5-0.6 | 1711 |
0.6-0.7 | 259 |
0.7-0.8 | 27 |
0.8-0.85 | 2 |
0.85-0.9 | 8 |
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 NPC128726 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 755 |
0.1-0.2 | 5221 |
0.2-0.3 | 2319 |
0.3-0.4 | 489 |
0.4-0.5 | 302 |
0.5-0.6 | 57 |
0.6-0.7 | 7 |
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 |