Natural Product: NPC117299
Natural Product ID:   | NPC117299 |
Common Name*:   | NUPDNAYTDRTFOD-WFRIJLMHSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | NUPDNAYTDRTFOD-WFRIJLMHSA-N |
Standard InCHI:   | InChI=1S/C22H32O13/c1-3-4-9-5-10(31-2)20(35-22-19(30)17(28)15(26)13(8-24)34-22)11(6-9)32-21-18(29)16(27)14(25)12(7-23)33-21/h3,5-6,12-19,21-30H,1,4,7-8H2,2H3/t12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1 |
SMILES:   | C=CCc1cc(c(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
15714546 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0000011] Carbohydrates and carbohydrate conjugates[CHEMONTID:0002105] Glycosyl compounds[CHEMONTID:0004165] Phenolic glycosides
|
*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] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
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] |
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] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22104 |
Trifolium pratense |
Species |
Fabaceae |
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] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[Phenol-Explorer] |
NPO20134 |
Dicliptera riparia |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19953 |
Lupinus formosus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO20508 |
Ilex kaushue |
Species |
Aquifoliaceae |
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] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4785 |
Persicaria thunbergii |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
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] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21079 |
Actinomadura hibisca |
Species |
Thermomonosporaceae |
Bacteria |
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] |
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] |
NPO19880 |
Palicourea alpina |
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] |
NPO21775 |
Zilla spinosa |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21212 |
Scrophularia smithii |
Species |
Scrophulariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22622 |
Coptis deltoidea |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13106 |
Rhodomyrtus tomentosa |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20190 |
Oxandra xylopioides |
Species |
Annonaceae |
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] |
NPO20889 |
Anastrepha suspensa |
Species |
Tephritidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20827 |
Boronia muelleri |
Species |
Rutaceae |
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] |
NPO20316 |
Hypselodoris cantabrica |
Species |
Chromodorididae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15871 |
Parmelia enteromorpha |
Species |
Parmeliaceae |
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] |
NPO21400 |
Macrocystidia cucumis |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20635 |
Dalbergia frutescens |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21023 |
Astilbe koreana |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21270 |
Nerita albicilla |
Species |
Neritidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4771 |
Tanacetum santolinoides |
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] |
NPO22298 |
Inula thapsoides |
Species |
Asteraceae |
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] |
NPO20764 |
Euphorbia caducifolia |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19799 |
Erwinia rhapontici |
Species |
Erwiniaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20077 |
Posoqueria latifolia |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20696 |
Colchicum macedonicum |
Species |
Colchicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22042 |
Kaunia arbuscularis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20134 |
Dicliptera riparia |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22689 |
Cassia carnaval |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29262 |
Cranfillia vulcanica |
Species |
Blechnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6873 |
Salvia xalapensis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21460 |
Anethum graveolens |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22104 |
Trifolium pratense |
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] |
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] |
NPO22746 |
Salix sieboldiana |
Species |
Salicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22227 |
Sambucus ebulus |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21587 |
Hypericum papuanum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17581 |
Streptomyces fulvoviridis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20953 |
Coprosma acerosa |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20012 |
Wunderlichia mirabilis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18141 |
Solanum torvum |
Species |
Solanaceae |
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 NPC117299 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 | 405 |
0.1-0.2 | 1502 |
0.2-0.3 | 4035 |
0.3-0.4 | 10188 |
0.4-0.5 | 8369 |
0.5-0.6 | 5247 |
0.6-0.7 | 7951 |
0.7-0.8 | 4035 |
0.8-0.85 | 670 |
0.85-0.9 | 221 |
0.9-0.95 | 68 |
0.95-1 | 6 |
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 NPC117299 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 333 |
0.1-0.2 | 840 |
0.2-0.3 | 1928 |
0.3-0.4 | 2817 |
0.4-0.5 | 1690 |
0.5-0.6 | 928 |
0.6-0.7 | 523 |
0.7-0.8 | 84 |
0.8-0.85 | 7 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |