Natural Product: NPC242428
Natural Product ID:   | NPC242428 |
Common Name*:   | VZFRNCSOCOPNDB-LNVQSPMDSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | VZFRNCSOCOPNDB-LNVQSPMDSA-N |
Standard InCHI:   | InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+/t9-,10+,11-,13+/m1/s1 |
SMILES:   | C/C(=CC=C/[C@@H](C)C(=O)O)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
101790920 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000264] Organic acids and derivatives
-
[CHEMONTID:0000265] Carboxylic acids and derivatives
[CHEMONTID:0000013] Amino acids, peptides, and analogues[CHEMONTID:0000347] Amino acids and derivatives[CHEMONTID:0001801] Kainoids
|
*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 |
NPO21005 |
Baphia nitida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/0031-9422(92)80059-N] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
DOI[10.1016/S0040-4039(00)86970-1] |
NPO4343 |
Guanomyces polythrix |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10869195] |
NPO28122 |
Senecio chionophilus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15387646] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[16508191] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17340534] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
skin-removed stems |
Pingle Town, Sichuang Province, China |
2008-AUG |
PMID[21469695] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
stem |
n.a. |
PMID[21469695] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[22690646] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[23397723] |
NPO20739 |
Jungermannia hyalina |
Species |
Jungermanniaceae |
Eukaryota |
n.a. |
Guangxi Zhuang Autonomous Region, China |
n.a. |
PMID[25856683] |
NPO21618 |
Ircinia oros |
Species |
Irciniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28840725] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31182315] |
NPO20212 |
Callistemon viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31276403] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[3760884] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6736970] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6875576] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6875577] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[6875577] |
NPO20671 |
Selliguea feei |
Species |
Polypodiaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[8254348] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12214 |
Leontice robustum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28645 |
Chondria armata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8678 |
Trillium camschatcense |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28645 |
Chondria armata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11966 |
Euphorbia kamerunica |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12214 |
Leontice robustum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12214 |
Leontice robustum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19773 |
Xenorhabdus bovienii |
Species |
Morganellaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21945 |
Amomum melegueta |
Species |
Zingiberaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28331 |
Astragalus siculus |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21550 |
Achillea macrophylla |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20212 |
Callistemon viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28314 |
Hakea trifurcata |
Species |
Proteaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20739 |
Jungermannia hyalina |
Species |
Jungermanniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20340 |
Pausinystalia mayumbensis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21486 |
Marrubium alysson |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28539 |
Xestospongia vanilla |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21088 |
Litsea pulchella |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12214 |
Leontice robustum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28645 |
Chondria armata |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20872 |
Melampodium heterophyllum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20813 |
Myrmica sabuleti |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2854 |
Gymnosporia senegalensis |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21426 |
Alstroemeria revoluta |
Species |
Alstroemeriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28227 |
Prunus speciosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19622 |
Euphorbia marginata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22510 |
Eupatorium havanense |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28493 |
Euphorbia cuneata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28156 |
Nezara viridula |
Species |
Pentatomidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28030 |
Polysiphonia nigra |
Species |
Rhodomelaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20408 |
Ajuga spectabilis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27917 |
Ulmus campestris |
Species |
Ulmaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11622.1 |
Shuteria involucrata var. vestita |
Varieties |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28122 |
Senecio chionophilus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18096 |
Excoecaria oppositifolia |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27768 |
Terminalia brachystemma |
Species |
Combretaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16907 |
Pentzia incana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28082 |
Corydalis tashiroi |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26840 |
Litsea aciculata |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20671 |
Selliguea feei |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27849 |
Raoulia australis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14136 |
Acherontia atropus |
Species |
Sphingidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17515 |
Pronephrium triphyllum |
Species |
Thelypteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27889 |
Anacyclus monanthos |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21365 |
Ligularia muliensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20546 |
Cissus pallidiflorus |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18620 |
Grindelia acutifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3777 |
Stevia chamaedrys |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21289 |
Teucrium oxylepis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20612 |
Ursinia abrotanifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3237 |
Mytilus edulis |
Species |
Mytilidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19986 |
Crataegus davisii |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15216 |
Encephalartos altensteinii |
Species |
Zamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28403 |
Comanthus bennetti |
Species |
Comatulidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21618 |
Ircinia oros |
Species |
Irciniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20051 |
Gardenia collinsae |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13260 |
Eria foetida |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28420 |
Guizotia scabra |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4343 |
Guanomyces polythrix |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28505 |
Arum palaestinum |
Species |
Araceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21005 |
Baphia nitida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28105 |
Coriolopsis gallica |
Species |
Coriolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27969 |
Elvira biflora |
Species |
Trochilidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28522 |
Flustra denticulata |
Species |
Flustridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16454 |
Crinum erubescens |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16044 |
Cupressus lawsoniana |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28279 |
Mikania cordifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8678 |
Trillium camschatcense |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14330 |
Agave aurea |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21231 |
Astragalus tragacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11966 |
Euphorbia kamerunica |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14466 |
Penicillium olsonii |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27701 |
Otholobium glandulosum |
Species |
Fabaceae |
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 ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC242428 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 | 76 |
0.1-0.2 | 600 |
0.2-0.3 | 14866 |
0.3-0.4 | 19956 |
0.4-0.5 | 6461 |
0.5-0.6 | 704 |
0.6-0.7 | 31 |
0.7-0.8 | 0 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 2 |
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 NPC242428 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 78 |
0.1-0.2 | 354 |
0.2-0.3 | 3254 |
0.3-0.4 | 3990 |
0.4-0.5 | 1256 |
0.5-0.6 | 201 |
0.6-0.7 | 17 |
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 |