Natural Product: NPC234051
Natural Product ID:   | NPC234051 |
Common Name*:   | MOESXQFGHNEYAH-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | MOESXQFGHNEYAH-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C16H14O4/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,17,19H,1H3 |
SMILES:   | COc1ccc(C(=O)C=Cc2ccc(cc2)O)c(c1)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
592216 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0003467] Linear 1,3-diarylpropanoids
[CHEMONTID:0001630] Chalcones and dihydrochalcones[CHEMONTID:0003472] 2'-Hydroxychalcones
|
*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 |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1007/s11418-005-0009-z] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10691704] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16378371] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16643065] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18257536] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19177635] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19433363] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
Sunan County, Gansu Province, China |
2006-JUN |
PMID[20684529] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[22032651] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22032651] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
whole plant |
Guide County, Qinghai Province, China |
2008-AUG |
PMID[22775441] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30219526] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32705864] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO9737 |
Ampelocera edentula |
Species |
Ulmaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10038.1 |
Abies pinsapo var. marocana |
Varieties |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6065 |
Brassica carinata |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5086 |
Alternaria macrospora |
Species |
Pleosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9867 |
Ixeris debilis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7032 |
Marasmiellus troyanus |
Species |
Omphalotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8938 |
Halobacillus litoralis |
Species |
Bacillaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4536 |
Remirea maritima |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13474 |
Euphrasia genargentea |
Species |
Orobanchaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21472 |
Pterolobium hexapetalum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO593 |
Wikstroemia viridiflora |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10132 |
Schizophyllum lobatum |
Species |
Schizophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9998 |
Abies excelsa |
Species |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3838 |
Chrysosporum ovalisporum |
Species |
Aphanizomenonaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7418 |
Eucalyptus resinifera |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6807 |
Ranunculus asiaticus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1293 |
Streptomyces matensis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5857 |
Achlya heterosexualis |
Species |
Saprolegniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2670 |
Maytenus chuchuhuasha |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4123 |
Trididemnum cyanophorum |
Species |
Didemnidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9091 |
Orthosiphon spicatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4901 |
Arnica mollis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2439 |
Diplopterygium glaucum |
Species |
Gleicheniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9594 |
Lysimachia fordiana |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3151 |
Solanum lanceolatum |
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 NPC234051 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 | 336 |
0.1-0.2 | 1675 |
0.2-0.3 | 4572 |
0.3-0.4 | 11265 |
0.4-0.5 | 6395 |
0.5-0.6 | 3924 |
0.6-0.7 | 5937 |
0.7-0.8 | 5369 |
0.8-0.85 | 1949 |
0.85-0.9 | 870 |
0.9-0.95 | 314 |
0.95-1 | 91 |
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 NPC234051 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 315 |
0.1-0.2 | 986 |
0.2-0.3 | 1483 |
0.3-0.4 | 2635 |
0.4-0.5 | 1904 |
0.5-0.6 | 1217 |
0.6-0.7 | 415 |
0.7-0.8 | 141 |
0.8-0.85 | 40 |
0.85-0.9 | 9 |
0.9-0.95 | 3 |
0.95-1 | 2 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |