Natural Product: NPC287387
Natural Product ID:   | NPC287387 |
Common Name*:   | LLUKLZVIROBDGI-SCUASFONSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | LLUKLZVIROBDGI-SCUASFONSA-N |
Standard InCHI:   | InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12-14,17H,3-4H2,1-2H3/t10-,12-,13+,14+/m0/s1 |
SMILES:   | CC1=C2C(=O)C=C(C)[C@@H]2[C@@H]2[C@H](C(=C)C(=O)O2)[C@H](C1)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
156302 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000002] Organoheterocyclic compounds
-
[CHEMONTID:0000050] Lactones
[CHEMONTID:0001245] Gamma butyrolactones
|
*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 |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
DOI[10.5897/JMPR.9000078] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
flower |
n.a. |
PMID[12130858] |
NPO17790 |
Trigonostemon reidioides |
Species |
Euphorbiaceae |
Eukaryota |
roots |
Rat Buri Province, Thailand |
1988-DEC |
PMID[14987064] |
NPO17790 |
Trigonostemon reidioides |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16204992] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[16309325] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
Seoul, Korea |
2000-Jun |
PMID[16643034] |
NPO8524 |
Pithecellobium clypearia |
Species |
Fabaceae |
Eukaryota |
leaves |
n.a. |
n.a. |
PMID[16724853] |
NPO8524 |
Pithecellobium clypearia |
Species |
Fabaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[16724853] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
fruit |
n.a. |
n.a. |
PMID[18505286] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
fruit |
n.a. |
n.a. |
PMID[19650637] |
NPO16660 |
Phomopsis archeri |
Species |
Valsaceae |
Eukaryota |
n.a. |
mycelium |
n.a. |
PMID[21341709] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[23305920] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25590529] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26099993] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Flowers |
n.a. |
n.a. |
PMID[28156114] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29400471] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
Aerial Parts |
n.a. |
n.a. |
PMID[30726671] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32141747] |
NPO2733 |
Sarcomelicope argyrophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO17706 |
Caragana tibetica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10436 |
Aristolochia maxima |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13180 |
Jasminum officinale |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16620 |
Malus asiatica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO13856 |
Bergenia purpurascens |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17637 |
Pimpinella saxifraga |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10436 |
Aristolochia maxima |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17790 |
Trigonostemon reidioides |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13856 |
Bergenia purpurascens |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17706 |
Caragana tibetica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17244 |
Montrouziera sphaeroidea |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17637 |
Pimpinella saxifraga |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13180 |
Jasminum officinale |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO13180 |
Jasminum officinale |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO6939 |
Vatica diospyroides |
Species |
Dipterocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22258 |
Chrysanthemum indicum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17739 |
Macrotyloma axillare |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12559 |
Mikania obtusata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17327 |
Cotoneaster orbicularis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18962 |
Actinobacillus pleuropneumoniae |
Species |
Pasteurellaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12733 |
Pentapora fascialis |
Species |
Bitectiporidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11020 |
Streptomyces purpeofuscus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17637 |
Pimpinella saxifraga |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10436 |
Aristolochia maxima |
Species |
Aristolochiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17945 |
Arachniodes dimorphophylla |
Species |
Dryopteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18709 |
Discaria crenata |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18027 |
Oreosolen wattii |
Species |
Scrophulariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11925 |
Mola mola |
Species |
Molidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17100 |
Artemisia vachanica |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17706 |
Caragana tibetica |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22469 |
Tropaeolum speciosum |
Species |
Tropaeolaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13856 |
Bergenia purpurascens |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14698 |
Phyllospongia madagascarensis |
Species |
Thorectidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16253 |
Rapanea myricoides |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8524 |
Pithecellobium clypearia |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13422 |
Amoora yunnanensis |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26487 |
Tinospora smilacina |
Species |
Menispermaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9428 |
Annona rensoniana |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16374 |
Crataegus sinaica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13180 |
Jasminum officinale |
Species |
Oleaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15079 |
Polygala myrtifolia |
Species |
Polygalaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17355 |
Bischofia trifoliata |
Species |
Phyllanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11559 |
Betula mandshurica |
Species |
Betulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21802 |
Julocroton camporum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17029 |
Tridacna gigas |
Species |
Tridacnidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17870 |
Euphorbia ferganensis |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9523 |
Nephroma antarcticum |
Species |
Nephromataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5634 |
Wallago attu |
Species |
Siluridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2589 |
Solanum bahamense |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15814 |
Rhodiola krylovii |
Species |
Crassulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28626 |
Isodon rubescens |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15667 |
Ligularia platyglossa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1148 |
Phalium undulatum |
Species |
Cassidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14408 |
Chrysolina fastuosa |
Species |
Chrysomelidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17244 |
Montrouziera sphaeroidea |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16620 |
Malus asiatica |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11831 |
Achillea collina |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2733 |
Sarcomelicope argyrophylla |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9518 |
Gardenia jasminoides |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15964 |
Tropiometra afra |
Species |
Tropiometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16510 |
Ganoderma australe |
Species |
Ganodermataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17790 |
Trigonostemon reidioides |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16660 |
Phomopsis archeri |
Species |
Valsaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17175 |
Lasiocephalus ovatus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11420 |
Dolichospermum affine |
Species |
Aphanizomenonaceae |
Bacteria |
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 NPC287387 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 | 177 |
0.1-0.2 | 1093 |
0.2-0.3 | 5025 |
0.3-0.4 | 11987 |
0.4-0.5 | 12365 |
0.5-0.6 | 6997 |
0.6-0.7 | 3836 |
0.7-0.8 | 1005 |
0.8-0.85 | 145 |
0.85-0.9 | 54 |
0.9-0.95 | 11 |
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 NPC287387 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 173 |
0.1-0.2 | 1672 |
0.2-0.3 | 3781 |
0.3-0.4 | 2396 |
0.4-0.5 | 689 |
0.5-0.6 | 323 |
0.6-0.7 | 97 |
0.7-0.8 | 18 |
0.8-0.85 | 0 |
0.85-0.9 | 1 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |