Natural Product: NPC172625
Natural Product ID:   | NPC172625 |
Common Name*:   | SSKWMOQUUQAJGV-QEHWCHDUSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | SSKWMOQUUQAJGV-QEHWCHDUSA-N |
Standard InCHI:   | InChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)/b8-6+/t10-/m1/s1 |
SMILES:   | C=C[C@](C)(CC/C=C(C)/C(=O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
10845194 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001549] Monoterpenoids[CHEMONTID:0001127] Acyclic 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 |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/S0031-9422(00)94679-X] |
NPO21079 |
Actinomadura hibisca |
Species |
Thermomonosporaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
DOI[10.1021/jo00272a013] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
aerial parts |
n.a. |
n.a. |
PMID[10650088] |
NPO20889 |
Anastrepha suspensa |
Species |
Tephritidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10706642] |
NPO20635 |
Dalbergia frutescens |
Species |
Fabaceae |
Eukaryota |
bark |
n.a. |
n.a. |
PMID[11076565] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11421727] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11830167] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
underground organs |
n.a. |
n.a. |
PMID[14738379] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
roots and stolons |
n.a. |
n.a. |
PMID[14738379] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[14738379] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
dried aerial organs |
n.a. |
n.a. |
PMID[14738379] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
dried aerial organs |
n.a. |
n.a. |
PMID[14738379] |
NPO21023 |
Astilbe koreana |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16580200] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
seed |
n.a. |
PMID[21049975] |
NPO21079 |
Actinomadura hibisca |
Species |
Thermomonosporaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[21119678] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
mycelium |
n.a. |
PMID[21473608] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21473608] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[25154406] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25466012] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28245113] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30199256] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31815461] |
NPO20045 |
Burkholderia cepacia |
Species |
Burkholderiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[3839140] |
NPO20045 |
Burkholderia cepacia |
Species |
Burkholderiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[7684040] |
NPO24658 |
Dillenia papuana |
Species |
Dilleniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7798959] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
Shoot |
n.a. |
n.a. |
Database[FooDB] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
Root |
n.a. |
n.a. |
Database[FooDB] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO19953 |
Lupinus formosus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO20508 |
Ilex kaushue |
Species |
Aquifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20134 |
Dicliptera riparia |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19953 |
Lupinus formosus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4785 |
Persicaria thunbergii |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO20764 |
Euphorbia caducifolia |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20077 |
Posoqueria latifolia |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22551 |
Trifolium alexandrium |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22042 |
Kaunia arbuscularis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29262 |
Cranfillia vulcanica |
Species |
Blechnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22689 |
Cassia carnaval |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20827 |
Boronia muelleri |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15871 |
Parmelia enteromorpha |
Species |
Parmeliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22880 |
Aspergillus caespitosus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19953 |
Lupinus formosus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21334 |
Artemisia dracunculus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22227 |
Sambucus ebulus |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20635 |
Dalbergia frutescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20012 |
Wunderlichia mirabilis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20045 |
Burkholderia cepacia |
Species |
Burkholderiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17581 |
Streptomyces fulvoviridis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4785 |
Persicaria thunbergii |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21470 |
Conoideocrella tenuis |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21079 |
Actinomadura hibisca |
Species |
Thermomonosporaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21775 |
Zilla spinosa |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20696 |
Colchicum macedonicum |
Species |
Colchicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21212 |
Scrophularia smithii |
Species |
Scrophulariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19880 |
Palicourea alpina |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19799 |
Erwinia rhapontici |
Species |
Erwiniaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20134 |
Dicliptera riparia |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10757 |
Cyanospira rippkae |
Species |
Aphanizomenonaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8570 |
Ficus elastica |
Species |
Moraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20190 |
Oxandra xylopioides |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6873 |
Salvia xalapensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21839 |
Cymathere triplicata |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20889 |
Anastrepha suspensa |
Species |
Tephritidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20316 |
Hypselodoris cantabrica |
Species |
Chromodorididae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20508 |
Ilex kaushue |
Species |
Aquifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22490 |
Limeum pterocarpum |
Species |
Limeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22746 |
Salix sieboldiana |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21023 |
Astilbe koreana |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21400 |
Macrocystidia cucumis |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4771 |
Tanacetum santolinoides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20953 |
Coprosma acerosa |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21270 |
Nerita albicilla |
Species |
Neritidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24658 |
Dillenia papuana |
Species |
Dilleniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22362 |
Tylophora flava |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21905 |
Helianthopsis bishopii |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22298 |
Inula thapsoides |
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
●  The left chart: Distribution of similarity level between NPC172625 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 | 116 |
0.1-0.2 | 3417 |
0.2-0.3 | 16642 |
0.3-0.4 | 13762 |
0.4-0.5 | 5872 |
0.5-0.6 | 2352 |
0.6-0.7 | 446 |
0.7-0.8 | 82 |
0.8-0.85 | 6 |
0.85-0.9 | 1 |
0.9-0.95 | 0 |
0.95-1 | 1 |
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 NPC172625 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 101 |
0.1-0.2 | 3089 |
0.2-0.3 | 4300 |
0.3-0.4 | 1271 |
0.4-0.5 | 305 |
0.5-0.6 | 64 |
0.6-0.7 | 18 |
0.7-0.8 | 2 |
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 |