Natural Product: NPC250543
Natural Product ID:   | NPC250543 |
Common Name*:   | GHIKZCCKJTXOGO-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | GHIKZCCKJTXOGO-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3 |
SMILES:   | COc1cc2ccc(=O)oc2c2c1OCO2
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
5319474 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000145] Coumarins and derivatives
|
*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 |
NPO2768 |
Berchemia floribunda |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1002/cbdv.200690067] |
NPO11979 |
Bugula neritina |
Species |
Bugulidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1021/ja00388a092] |
NPO11702 |
Plexaurella grisea |
Species |
Plexauridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11325216] |
NPO17377 |
Pittosporum viridiflorum |
Species |
Pittosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11809069] |
NPO15579 |
Mycale laxissima |
Species |
Mycalidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12932129] |
NPO16634 |
Sinularia manaarensis |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16933863] |
NPO7664 |
Pseudocedrela kotschyi |
Species |
Meliaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[17253841] |
NPO13975 |
Calanthe arisanensis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18640035] |
NPO13975 |
Calanthe arisanensis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19193043] |
NPO5018 |
Nervilia fordii |
Species |
Orchidaceae |
Eukaryota |
whole plant |
n.a. |
n.a. |
PMID[19422205] |
NPO11979 |
Bugula neritina |
Species |
Bugulidae |
Eukaryota |
n.a. |
South China Sea |
n.a. |
PMID[25932671] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26521454] |
NPO11979 |
Bugula neritina |
Species |
Bugulidae |
Eukaryota |
n.a. |
Gulf of Aomori, Japan |
n.a. |
PMID[8691208] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[8699184] |
NPO11979 |
Bugula neritina |
Species |
Bugulidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8882431] |
NPO16120 |
Swertia decora |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Article] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO9662 |
Conioselinum vaginatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15904 |
Chrysosplenium oppositifolium |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9964 |
Aglaia lawii |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14127 |
Veratrum eschscholtzii |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22541 |
Channa argus |
Species |
Channidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9662 |
Conioselinum vaginatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO9662 |
Conioselinum vaginatum |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8298 |
Sphaeria biglobosa |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19215 |
Ormosia semicastrata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16120 |
Swertia decora |
Species |
Gentianaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3742 |
Betula maximowicziana |
Species |
Betulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29072 |
Tritomaria quinquedentata |
Species |
Scapaniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5824 |
Hygrophila polysperma |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15904 |
Chrysosplenium oppositifolium |
Species |
Saxifragaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22541 |
Channa argus |
Species |
Channidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15691 |
Senecio coahuilensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26942 |
Vicoa vestita |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27420 |
Venidium hirsutum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16878 |
Roldana barba-johannis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO27425 |
Pseudotaxus chienii |
Species |
Taxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13130 |
0tholaena peninsularis |
Species |
Pteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13410 |
Mcneillia graminifolia |
Species |
Caryophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16223 |
Serratula xeranthemoides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16789 |
Erythrina sandwicensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16553 |
Theonella cupola |
Species |
Theonellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14625 |
Santolina rosmarinifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16466 |
Baccharis santelicis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2768 |
Berchemia floribunda |
Species |
Rhamnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20118 |
Hormothamnion enteromorphoides |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9964 |
Aglaia lawii |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16713 |
Choisya arizonica |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15579 |
Mycale laxissima |
Species |
Mycalidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18951 |
Ligusticum sinense |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15341 |
Mucuna sloanei |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14127 |
Veratrum eschscholtzii |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11413 |
Incarvillea emodi |
Species |
Bignoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22394 |
Hyacinthoides hispanica |
Species |
Hyacinthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8782 |
Arnica sachalinensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13975 |
Calanthe arisanensis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1780 |
Sphaeria doliolum |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11702 |
Plexaurella grisea |
Species |
Plexauridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16313 |
Ochrocarpos odoratus |
Species |
Clusiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5018 |
Nervilia fordii |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6899 |
Hepialus hecta |
Species |
Hepialidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16634 |
Sinularia manaarensis |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13773 |
Eriogonum nudum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13296 |
Pinus sitchensis |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15194 |
Euphorbia balsamifera |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO752 |
Oligonychus bessardi |
Species |
Tetranychidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1354 |
Myelochroa rhytidodes |
Species |
Parmeliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11979 |
Bugula neritina |
Species |
Bugulidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15452 |
Senecio othonniformis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7664 |
Pseudocedrela kotschyi |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28722 |
Radermachera xylocarpa |
Species |
Bignoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21773 |
Rothmannia urcelliformis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24317 |
Primula integrifolia |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9425 |
Punctelia microsticta |
Species |
Parmeliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10969 |
Epimedium sagittatum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17377 |
Pittosporum viridiflorum |
Species |
Pittosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12087 |
Amaioua guianensis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17447 |
Agathosma betulina |
Species |
Rutaceae |
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 NPC250543 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 | 538 |
0.1-0.2 | 2370 |
0.2-0.3 | 6157 |
0.3-0.4 | 11080 |
0.4-0.5 | 5696 |
0.5-0.6 | 4568 |
0.6-0.7 | 5802 |
0.7-0.8 | 5112 |
0.8-0.85 | 1156 |
0.85-0.9 | 185 |
0.9-0.95 | 28 |
0.95-1 | 5 |
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 NPC250543 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 458 |
0.1-0.2 | 1041 |
0.2-0.3 | 2255 |
0.3-0.4 | 2671 |
0.4-0.5 | 1591 |
0.5-0.6 | 770 |
0.6-0.7 | 250 |
0.7-0.8 | 96 |
0.8-0.85 | 14 |
0.85-0.9 | 4 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |