Natural Product: NPC232954
Natural Product ID:   | NPC232954 |
Common Name*:   | MQLSOVRLZHTATK-PEYNGXJCSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | MQLSOVRLZHTATK-PEYNGXJCSA-N |
Standard InCHI:   | InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/p-1/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1 |
SMILES:   | C=C[C@@H]1[C@H](CC(=O)[O-])C(=CO[C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C(=O)OC
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
162868 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0002049] Terpene 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 |
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] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[11077184] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11141124] |
NPO3699 |
Acacia aulacocarpa |
Species |
Fabaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[11735581] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12628396] |
NPO9096 |
Scutellaria lateriflora |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12713409] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[12802735] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15844965] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16564530] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[17328234] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17602526] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[18321056] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[18384095] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
Hairy roots |
n.a. |
n.a. |
PMID[19271765] |
NPO9096 |
Scutellaria lateriflora |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19555121] |
NPO9096 |
Scutellaria lateriflora |
Species |
Lamiaceae |
Eukaryota |
aerial parts |
n.a. |
n.a. |
PMID[19555121] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[21804227] |
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] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[22014120] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22014120] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22014168] |
NPO17072 |
Lonicera macranthoides |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
flower bud |
n.a. |
PMID[22822669] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[23265495] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23540838] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[24279769] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24295708] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[25102361] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[25306330] |
NPO9096 |
Scutellaria lateriflora |
Species |
Lamiaceae |
Eukaryota |
aerial part |
n.a. |
n.a. |
PMID[25442304] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26285573] |
NPO31475 |
Palicourea rigida |
Species |
Rubiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[26927220] |
NPO31475 |
Palicourea rigida |
Species |
Rubiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[26927220] |
NPO31475 |
Palicourea rigida |
Species |
Rubiaceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[26927220] |
NPO31475 |
Palicourea rigida |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27809507] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[29140705] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[29359942] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[31944695] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6619887] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6631435] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7264679] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7264682] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7320741] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots; Tubers |
n.a. |
n.a. |
PMID[7714535] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
Oil |
n.a. |
n.a. |
Database[FooDB] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2476 |
Lonicera fulvotomentosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4823 |
Psiadia dentata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2476 |
Lonicera fulvotomentosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19948 |
Neolentinus lepideus |
Species |
Gloeophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4596 |
Lonicera confusa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8418 |
Anemone flaccida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21345 |
Lonicera hypoglauca |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17072 |
Lonicera macranthoides |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7569 |
Guatteria boliviana |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21345 |
Lonicera hypoglauca |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
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] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2476 |
Lonicera fulvotomentosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17072 |
Lonicera macranthoides |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO4596 |
Lonicera confusa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21345 |
Lonicera hypoglauca |
Species |
Caprifoliaceae |
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] |
NPO2476 |
Lonicera fulvotomentosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9492 |
Maesopsis eminii |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28608 |
Olea europaea |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12588 |
Cornus officinalis |
Species |
Cornaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8418 |
Anemone flaccida |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4907 |
Torulopsis magnoliae |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO471 |
Ardisia neriifolia |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5155 |
Peritassa compta |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3853 |
Aspidosperma subincanum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17072 |
Lonicera macranthoides |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3597 |
Rheedia acuminata |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28192 |
Xenia puertogalerae |
Species |
Xeniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1480 |
Dimocarpus fumatus |
Species |
Sapindaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5196 |
Eupatorium argentinum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6729 |
Juniperus brevifolia |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6092 |
Symphyocladia latiuscula |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7569 |
Guatteria boliviana |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3699 |
Acacia aulacocarpa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6237 |
Cryptocarya aschersoniana |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21345 |
Lonicera hypoglauca |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4823 |
Psiadia dentata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2476 |
Lonicera fulvotomentosa |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5881 |
Catharanthus roseus |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8031 |
Portulaca okinawensis |
Species |
Portulacaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6354 |
Trypetheliopsis boninensis |
Species |
Monoblastiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1515 |
Lonicera japonica |
Species |
Caprifoliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9096 |
Scutellaria lateriflora |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19948 |
Neolentinus lepideus |
Species |
Gloeophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7427 |
Fagara ailanthoides |
n.a. |
n.a. |
n.a. |
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 NPC232954 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 | 200 |
0.1-0.2 | 1592 |
0.2-0.3 | 5449 |
0.3-0.4 | 12092 |
0.4-0.5 | 13267 |
0.5-0.6 | 8106 |
0.6-0.7 | 1722 |
0.7-0.8 | 221 |
0.8-0.85 | 9 |
0.85-0.9 | 29 |
0.9-0.95 | 8 |
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 NPC232954 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 180 |
0.1-0.2 | 2102 |
0.2-0.3 | 3900 |
0.3-0.4 | 2008 |
0.4-0.5 | 739 |
0.5-0.6 | 195 |
0.6-0.7 | 23 |
0.7-0.8 | 3 |
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 |